USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 961 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 122 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 126 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.2!) USER MOD Set 2.1: A 100 TYR OH : rot 180:sc= -0.202 USER MOD Set 2.2: A 104 MET CE :methyl -174:sc= -1.81 (180deg=-1.87) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -5.73! C(o=-5.7!,f=-6.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 31 HIS : no HE2:sc= -2.89 K(o=-2.9,f=-4.2!) USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00135) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.674 USER MOD Single : A 43 TYR OH : rot 150:sc= -0.225 USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= -1.01 (180deg=-1.25) USER MOD Single : A 45 SER OG : rot 180:sc= -0.235 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -3.47! C(o=-3.5!,f=-11!) USER MOD Single : A 58 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.89) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= -0.0407 (180deg=-0.291) USER MOD Single : A 62 CYS SG : rot -72:sc= 0.469 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.051) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 91:sc= -1.52 USER MOD Single : A 78 LYS NZ :NH3+ 146:sc= -1.35 (180deg=-4.56!) USER MOD Single : A 83 SER OG : rot 11:sc= 0.654 USER MOD Single : A 87 MET CE :methyl -162:sc= -4.17 (180deg=-7.1!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 88:sc= 0.307 USER MOD Single : A 94 CYS SG : rot -125:sc= -1.26 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.00046) USER MOD Single : A 99 GLN : amide:sc= -1.15 K(o=-1.1,f=-4.4!) USER MOD Single : A 107 CYS SG : rot 160:sc= 0 USER MOD Single : A 111 SER OG : rot 71:sc= 0.145 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 173:sc= -1.44 (180deg=-1.67) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 16.026 -2.679 9.706 1.00 0.00 N ATOM 67 CA ILE A 8 14.828 -1.956 9.299 1.00 0.00 C ATOM 68 C ILE A 8 14.068 -2.716 8.217 1.00 0.00 C ATOM 69 O ILE A 8 14.447 -2.722 7.046 1.00 0.00 O ATOM 70 CB ILE A 8 15.171 -0.548 8.777 1.00 0.00 C ATOM 71 CG1 ILE A 8 15.749 0.311 9.903 1.00 0.00 C ATOM 72 CG2 ILE A 8 13.935 0.112 8.181 1.00 0.00 C ATOM 73 CD1 ILE A 8 14.797 0.508 11.062 1.00 0.00 C ATOM 0 HA ILE A 8 14.199 -1.863 10.184 1.00 0.00 H new ATOM 0 HB ILE A 8 15.923 -0.641 7.994 1.00 0.00 H new ATOM 0 HG12 ILE A 8 16.664 -0.153 10.270 1.00 0.00 H new ATOM 0 HG13 ILE A 8 16.025 1.286 9.500 1.00 0.00 H new ATOM 0 HG21 ILE A 8 14.193 1.106 7.817 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.563 -0.492 7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.163 0.195 8.946 1.00 0.00 H new ATOM 0 HD11 ILE A 8 15.273 1.126 11.823 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.891 1.000 10.709 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.540 -0.461 11.490 1.00 0.00 H new ATOM 85 N PRO A 9 12.968 -3.371 8.616 1.00 0.00 N ATOM 86 CA PRO A 9 12.129 -4.144 7.696 1.00 0.00 C ATOM 87 C PRO A 9 11.365 -3.255 6.721 1.00 0.00 C ATOM 88 O PRO A 9 10.362 -2.641 7.084 1.00 0.00 O ATOM 89 CB PRO A 9 11.158 -4.873 8.628 1.00 0.00 C ATOM 90 CG PRO A 9 11.093 -4.021 9.849 1.00 0.00 C ATOM 91 CD PRO A 9 12.457 -3.406 9.997 1.00 0.00 C ATOM 0 HA PRO A 9 12.721 -4.811 7.068 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.175 -4.982 8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.513 -5.876 8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.327 -3.252 9.748 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.835 -4.615 10.726 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.403 -2.407 10.431 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.098 -4.001 10.647 1.00 0.00 H new ATOM 99 N GLU A 10 11.846 -3.190 5.484 1.00 0.00 N ATOM 100 CA GLU A 10 11.207 -2.375 4.458 1.00 0.00 C ATOM 101 C GLU A 10 10.728 -3.240 3.295 1.00 0.00 C ATOM 102 O GLU A 10 11.309 -4.287 3.005 1.00 0.00 O ATOM 103 CB GLU A 10 12.176 -1.306 3.947 1.00 0.00 C ATOM 104 CG GLU A 10 12.324 -0.121 4.886 1.00 0.00 C ATOM 105 CD GLU A 10 13.312 0.909 4.374 1.00 0.00 C ATOM 106 OE1 GLU A 10 13.082 1.456 3.275 1.00 0.00 O ATOM 107 OE2 GLU A 10 14.315 1.169 5.071 1.00 0.00 O ATOM 0 H GLU A 10 12.676 -3.692 5.168 1.00 0.00 H new ATOM 0 HA GLU A 10 10.341 -1.887 4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.155 -1.760 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.831 -0.949 2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.352 0.351 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.649 -0.476 5.864 1.00 0.00 H new ATOM 114 N LEU A 11 9.666 -2.795 2.634 1.00 0.00 N ATOM 115 CA LEU A 11 9.107 -3.528 1.502 1.00 0.00 C ATOM 116 C LEU A 11 9.405 -2.811 0.189 1.00 0.00 C ATOM 117 O LEU A 11 9.333 -1.585 0.108 1.00 0.00 O ATOM 118 CB LEU A 11 7.596 -3.696 1.674 1.00 0.00 C ATOM 119 CG LEU A 11 7.139 -4.974 2.377 1.00 0.00 C ATOM 120 CD1 LEU A 11 5.842 -4.732 3.134 1.00 0.00 C ATOM 121 CD2 LEU A 11 6.970 -6.104 1.373 1.00 0.00 C ATOM 0 H LEU A 11 9.174 -1.931 2.861 1.00 0.00 H new ATOM 0 HA LEU A 11 9.574 -4.512 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.217 -2.841 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.132 -3.662 0.688 1.00 0.00 H new ATOM 0 HG LEU A 11 7.906 -5.265 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.532 -5.653 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.997 -3.954 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.067 -4.416 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.644 -7.006 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.223 -5.822 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.921 -6.295 0.876 1.00 0.00 H new ATOM 133 N LYS A 12 9.737 -3.585 -0.839 1.00 0.00 N ATOM 134 CA LYS A 12 10.042 -3.026 -2.150 1.00 0.00 C ATOM 135 C LYS A 12 9.209 -3.699 -3.236 1.00 0.00 C ATOM 136 O LYS A 12 9.443 -4.857 -3.583 1.00 0.00 O ATOM 137 CB LYS A 12 11.532 -3.187 -2.462 1.00 0.00 C ATOM 138 CG LYS A 12 12.441 -2.504 -1.456 1.00 0.00 C ATOM 139 CD LYS A 12 12.707 -1.057 -1.836 1.00 0.00 C ATOM 140 CE LYS A 12 13.097 -0.225 -0.624 1.00 0.00 C ATOM 141 NZ LYS A 12 14.443 -0.594 -0.106 1.00 0.00 N ATOM 0 H LYS A 12 9.802 -4.602 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 12 9.793 -1.965 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.775 -4.249 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.733 -2.782 -3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.985 -2.543 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.386 -3.044 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.504 -1.015 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.817 -0.632 -2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.088 0.832 -0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.355 -0.361 0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.671 -0.004 0.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.445 -1.596 0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.155 -0.440 -0.848 1.00 0.00 H new ATOM 155 N ASP A 13 8.237 -2.967 -3.769 1.00 0.00 N ATOM 156 CA ASP A 13 7.371 -3.493 -4.818 1.00 0.00 C ATOM 157 C ASP A 13 6.450 -2.404 -5.360 1.00 0.00 C ATOM 158 O ASP A 13 6.016 -1.519 -4.621 1.00 0.00 O ATOM 159 CB ASP A 13 6.540 -4.661 -4.284 1.00 0.00 C ATOM 160 CG ASP A 13 7.260 -5.990 -4.413 1.00 0.00 C ATOM 161 OD1 ASP A 13 7.916 -6.210 -5.452 1.00 0.00 O ATOM 162 OD2 ASP A 13 7.166 -6.809 -3.475 1.00 0.00 O ATOM 0 H ASP A 13 8.029 -2.008 -3.492 1.00 0.00 H new ATOM 0 HA ASP A 13 8.003 -3.848 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.298 -4.482 -3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.595 -4.709 -4.826 1.00 0.00 H new ATOM 167 N HIS A 14 6.157 -2.474 -6.654 1.00 0.00 N ATOM 168 CA HIS A 14 5.288 -1.493 -7.295 1.00 0.00 C ATOM 169 C HIS A 14 3.883 -2.055 -7.487 1.00 0.00 C ATOM 170 O HIS A 14 3.679 -2.996 -8.255 1.00 0.00 O ATOM 171 CB HIS A 14 5.869 -1.071 -8.645 1.00 0.00 C ATOM 172 CG HIS A 14 4.880 -0.382 -9.534 1.00 0.00 C ATOM 173 ND1 HIS A 14 4.566 -0.830 -10.800 1.00 0.00 N ATOM 174 CD2 HIS A 14 4.132 0.728 -9.333 1.00 0.00 C ATOM 175 CE1 HIS A 14 3.669 -0.025 -11.339 1.00 0.00 C ATOM 176 NE2 HIS A 14 3.388 0.929 -10.470 1.00 0.00 N ATOM 0 H HIS A 14 6.508 -3.199 -7.280 1.00 0.00 H new ATOM 0 HA HIS A 14 5.226 -0.620 -6.645 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.716 -0.407 -8.475 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.253 -1.953 -9.158 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.122 1.341 -8.444 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.238 -0.129 -12.324 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.726 1.691 -10.619 1.00 0.00 H new ATOM 185 N LEU A 15 2.918 -1.474 -6.783 1.00 0.00 N ATOM 186 CA LEU A 15 1.531 -1.917 -6.875 1.00 0.00 C ATOM 187 C LEU A 15 0.793 -1.172 -7.982 1.00 0.00 C ATOM 188 O LEU A 15 1.390 -0.389 -8.722 1.00 0.00 O ATOM 189 CB LEU A 15 0.818 -1.705 -5.538 1.00 0.00 C ATOM 190 CG LEU A 15 1.542 -2.232 -4.299 1.00 0.00 C ATOM 191 CD1 LEU A 15 1.161 -1.419 -3.072 1.00 0.00 C ATOM 192 CD2 LEU A 15 1.227 -3.706 -4.084 1.00 0.00 C ATOM 0 H LEU A 15 3.070 -0.695 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 15 1.530 -2.980 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.646 -0.637 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.161 -2.181 -5.592 1.00 0.00 H new ATOM 0 HG LEU A 15 2.616 -2.130 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.686 -1.809 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.438 -0.376 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.085 -1.489 -2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.751 -4.064 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.153 -3.832 -3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.551 -4.278 -4.953 1.00 0.00 H new ATOM 204 N ARG A 16 -0.508 -1.419 -8.089 1.00 0.00 N ATOM 205 CA ARG A 16 -1.328 -0.770 -9.105 1.00 0.00 C ATOM 206 C ARG A 16 -1.748 0.626 -8.655 1.00 0.00 C ATOM 207 O ARG A 16 -2.478 0.780 -7.675 1.00 0.00 O ATOM 208 CB ARG A 16 -2.567 -1.615 -9.407 1.00 0.00 C ATOM 209 CG ARG A 16 -2.326 -2.702 -10.441 1.00 0.00 C ATOM 210 CD ARG A 16 -3.631 -3.337 -10.896 1.00 0.00 C ATOM 211 NE ARG A 16 -4.216 -2.631 -12.033 1.00 0.00 N ATOM 212 CZ ARG A 16 -5.364 -2.981 -12.603 1.00 0.00 C ATOM 213 NH1 ARG A 16 -6.046 -4.022 -12.145 1.00 0.00 N ATOM 214 NH2 ARG A 16 -5.832 -2.289 -13.634 1.00 0.00 N ATOM 0 H ARG A 16 -1.017 -2.064 -7.485 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.731 -0.676 -10.012 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.916 -2.076 -8.483 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.365 -0.961 -9.759 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.807 -2.279 -11.301 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.675 -3.468 -10.020 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.452 -4.377 -11.168 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.340 -3.341 -10.068 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.716 -1.826 -12.410 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.690 -4.557 -11.353 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.927 -4.288 -12.585 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.310 -1.488 -13.989 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.713 -2.558 -14.071 1.00 0.00 H new ATOM 228 N ILE A 17 -1.282 1.640 -9.377 1.00 0.00 N ATOM 229 CA ILE A 17 -1.610 3.022 -9.052 1.00 0.00 C ATOM 230 C ILE A 17 -2.372 3.689 -10.193 1.00 0.00 C ATOM 231 O ILE A 17 -1.966 3.613 -11.353 1.00 0.00 O ATOM 232 CB ILE A 17 -0.344 3.844 -8.746 1.00 0.00 C ATOM 233 CG1 ILE A 17 0.219 3.462 -7.376 1.00 0.00 C ATOM 234 CG2 ILE A 17 -0.653 5.333 -8.801 1.00 0.00 C ATOM 235 CD1 ILE A 17 1.483 4.209 -7.013 1.00 0.00 C ATOM 0 H ILE A 17 -0.676 1.530 -10.190 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.240 2.996 -8.163 1.00 0.00 H new ATOM 0 HB ILE A 17 0.408 3.621 -9.503 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.538 3.653 -6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.422 2.391 -7.361 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.252 5.901 -8.583 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.013 5.593 -9.796 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.419 5.573 -8.064 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.826 3.888 -6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.255 3.998 -7.753 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.280 5.280 -6.995 1.00 0.00 H new ATOM 247 N PHE A 18 -3.478 4.344 -9.855 1.00 0.00 N ATOM 248 CA PHE A 18 -4.297 5.026 -10.850 1.00 0.00 C ATOM 249 C PHE A 18 -4.759 6.386 -10.335 1.00 0.00 C ATOM 250 O PHE A 18 -5.255 6.502 -9.215 1.00 0.00 O ATOM 251 CB PHE A 18 -5.509 4.168 -11.218 1.00 0.00 C ATOM 252 CG PHE A 18 -6.476 4.860 -12.137 1.00 0.00 C ATOM 253 CD1 PHE A 18 -6.157 5.071 -13.468 1.00 0.00 C ATOM 254 CD2 PHE A 18 -7.704 5.299 -11.668 1.00 0.00 C ATOM 255 CE1 PHE A 18 -7.045 5.707 -14.316 1.00 0.00 C ATOM 256 CE2 PHE A 18 -8.596 5.934 -12.511 1.00 0.00 C ATOM 257 CZ PHE A 18 -8.265 6.140 -13.836 1.00 0.00 C ATOM 0 H PHE A 18 -3.828 4.417 -8.900 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.688 5.183 -11.740 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.163 3.249 -11.692 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.030 3.879 -10.305 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.204 4.735 -13.848 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.967 5.143 -10.632 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.785 5.865 -15.352 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.551 6.269 -12.134 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.959 6.639 -14.496 1.00 0.00 H new ATOM 267 N ARG A 19 -4.592 7.413 -11.162 1.00 0.00 N ATOM 268 CA ARG A 19 -4.990 8.765 -10.791 1.00 0.00 C ATOM 269 C ARG A 19 -5.737 9.446 -11.935 1.00 0.00 C ATOM 270 O ARG A 19 -5.141 10.061 -12.819 1.00 0.00 O ATOM 271 CB ARG A 19 -3.763 9.593 -10.406 1.00 0.00 C ATOM 272 CG ARG A 19 -3.046 9.080 -9.167 1.00 0.00 C ATOM 273 CD ARG A 19 -2.347 10.206 -8.421 1.00 0.00 C ATOM 274 NE ARG A 19 -3.283 11.240 -7.988 1.00 0.00 N ATOM 275 CZ ARG A 19 -2.918 12.332 -7.326 1.00 0.00 C ATOM 276 NH1 ARG A 19 -1.643 12.531 -7.023 1.00 0.00 N ATOM 277 NH2 ARG A 19 -3.829 13.228 -6.967 1.00 0.00 N ATOM 0 H ARG A 19 -4.184 7.334 -12.093 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.659 8.697 -9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.064 9.602 -11.242 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.070 10.625 -10.237 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.763 8.594 -8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.315 8.324 -9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.830 9.799 -7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.588 10.651 -9.065 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.272 11.117 -8.206 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.940 11.845 -7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.365 13.370 -6.515 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.811 13.078 -7.199 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.547 14.066 -6.459 1.00 0.00 H new ATOM 291 N PRO A 20 -7.073 9.334 -11.918 1.00 0.00 N ATOM 292 CA PRO A 20 -7.931 9.931 -12.946 1.00 0.00 C ATOM 293 C PRO A 20 -7.959 11.454 -12.864 1.00 0.00 C ATOM 294 O PRO A 20 -7.183 12.059 -12.125 1.00 0.00 O ATOM 295 CB PRO A 20 -9.313 9.353 -12.635 1.00 0.00 C ATOM 296 CG PRO A 20 -9.269 9.024 -11.183 1.00 0.00 C ATOM 297 CD PRO A 20 -7.851 8.615 -10.894 1.00 0.00 C ATOM 0 HA PRO A 20 -7.578 9.707 -13.952 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.101 10.073 -12.854 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.515 8.466 -13.236 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.558 9.884 -10.579 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.964 8.219 -10.944 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.548 8.899 -9.886 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.720 7.536 -10.974 1.00 0.00 H new ATOM 432 N TYR A 28 -2.948 3.480 -15.797 1.00 0.00 N ATOM 433 CA TYR A 28 -1.896 3.116 -14.856 1.00 0.00 C ATOM 434 C TYR A 28 -0.516 3.362 -15.459 1.00 0.00 C ATOM 435 O TYR A 28 -0.396 3.825 -16.594 1.00 0.00 O ATOM 436 CB TYR A 28 -2.032 1.649 -14.448 1.00 0.00 C ATOM 437 CG TYR A 28 -3.271 1.359 -13.631 1.00 0.00 C ATOM 438 CD1 TYR A 28 -4.498 1.146 -14.245 1.00 0.00 C ATOM 439 CD2 TYR A 28 -3.213 1.299 -12.244 1.00 0.00 C ATOM 440 CE1 TYR A 28 -5.633 0.882 -13.503 1.00 0.00 C ATOM 441 CE2 TYR A 28 -4.342 1.035 -11.493 1.00 0.00 C ATOM 442 CZ TYR A 28 -5.550 0.827 -12.127 1.00 0.00 C ATOM 443 OH TYR A 28 -6.677 0.564 -11.384 1.00 0.00 O ATOM 0 HA TYR A 28 -2.003 3.743 -13.971 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.046 1.031 -15.346 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.152 1.357 -13.874 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.566 1.187 -15.322 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.269 1.462 -11.745 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.580 0.720 -13.997 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.280 0.992 -10.416 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.447 0.559 -10.431 1.00 0.00 H new ATOM 453 N ARG A 29 0.523 3.049 -14.692 1.00 0.00 N ATOM 454 CA ARG A 29 1.894 3.235 -15.149 1.00 0.00 C ATOM 455 C ARG A 29 2.863 2.397 -14.320 1.00 0.00 C ATOM 456 O ARG A 29 2.463 1.741 -13.359 1.00 0.00 O ATOM 457 CB ARG A 29 2.285 4.712 -15.069 1.00 0.00 C ATOM 458 CG ARG A 29 1.741 5.549 -16.215 1.00 0.00 C ATOM 459 CD ARG A 29 2.572 6.804 -16.432 1.00 0.00 C ATOM 460 NE ARG A 29 2.358 7.380 -17.757 1.00 0.00 N ATOM 461 CZ ARG A 29 1.357 8.205 -18.047 1.00 0.00 C ATOM 462 NH1 ARG A 29 0.485 8.548 -17.110 1.00 0.00 N ATOM 463 NH2 ARG A 29 1.229 8.688 -19.276 1.00 0.00 N ATOM 0 H ARG A 29 0.441 2.665 -13.751 1.00 0.00 H new ATOM 0 HA ARG A 29 1.951 2.906 -16.186 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.925 5.124 -14.126 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.372 4.791 -15.057 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.732 4.955 -17.129 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.708 5.827 -16.006 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.319 7.542 -15.671 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.628 6.566 -16.307 1.00 0.00 H new ATOM 0 HE ARG A 29 3.012 7.136 -18.500 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.581 8.179 -16.164 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.282 9.181 -17.335 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.899 8.426 -19.999 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.461 9.321 -19.498 1.00 0.00 H new ATOM 477 N GLN A 30 4.136 2.423 -14.701 1.00 0.00 N ATOM 478 CA GLN A 30 5.160 1.664 -13.993 1.00 0.00 C ATOM 479 C GLN A 30 5.975 2.572 -13.078 1.00 0.00 C ATOM 480 O GLN A 30 7.058 3.030 -13.444 1.00 0.00 O ATOM 481 CB GLN A 30 6.085 0.963 -14.990 1.00 0.00 C ATOM 482 CG GLN A 30 7.043 -0.023 -14.341 1.00 0.00 C ATOM 483 CD GLN A 30 7.928 -0.727 -15.350 1.00 0.00 C ATOM 484 OE1 GLN A 30 8.321 -0.144 -16.361 1.00 0.00 O ATOM 485 NE2 GLN A 30 8.248 -1.987 -15.081 1.00 0.00 N ATOM 0 H GLN A 30 4.483 2.961 -15.495 1.00 0.00 H new ATOM 0 HA GLN A 30 4.662 0.913 -13.380 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.479 0.436 -15.727 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.661 1.715 -15.529 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.668 0.504 -13.621 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.472 -0.766 -13.784 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.900 -2.431 -14.231 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.842 -2.511 -15.724 1.00 0.00 H new ATOM 494 N HIS A 31 5.448 2.829 -11.885 1.00 0.00 N ATOM 495 CA HIS A 31 6.127 3.682 -10.916 1.00 0.00 C ATOM 496 C HIS A 31 6.780 2.846 -9.820 1.00 0.00 C ATOM 497 O HIS A 31 6.480 1.662 -9.667 1.00 0.00 O ATOM 498 CB HIS A 31 5.140 4.673 -10.298 1.00 0.00 C ATOM 499 CG HIS A 31 4.547 5.625 -11.291 1.00 0.00 C ATOM 500 ND1 HIS A 31 4.652 6.995 -11.175 1.00 0.00 N ATOM 501 CD2 HIS A 31 3.841 5.398 -12.423 1.00 0.00 C ATOM 502 CE1 HIS A 31 4.035 7.570 -12.192 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.534 6.622 -12.964 1.00 0.00 N ATOM 0 H HIS A 31 4.553 2.459 -11.566 1.00 0.00 H new ATOM 0 HA HIS A 31 6.907 4.236 -11.439 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.336 4.119 -9.814 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.648 5.242 -9.520 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.131 7.488 -10.421 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.570 4.433 -12.826 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.954 8.633 -12.363 1.00 0.00 H new ATOM 512 N TRP A 32 7.674 3.469 -9.061 1.00 0.00 N ATOM 513 CA TRP A 32 8.370 2.782 -7.979 1.00 0.00 C ATOM 514 C TRP A 32 7.762 3.139 -6.627 1.00 0.00 C ATOM 515 O TRP A 32 7.609 4.314 -6.295 1.00 0.00 O ATOM 516 CB TRP A 32 9.857 3.140 -7.994 1.00 0.00 C ATOM 517 CG TRP A 32 10.644 2.452 -6.919 1.00 0.00 C ATOM 518 CD1 TRP A 32 11.400 3.046 -5.949 1.00 0.00 C ATOM 519 CD2 TRP A 32 10.754 1.040 -6.708 1.00 0.00 C ATOM 520 NE1 TRP A 32 11.973 2.088 -5.148 1.00 0.00 N ATOM 521 CE2 TRP A 32 11.592 0.850 -5.592 1.00 0.00 C ATOM 522 CE3 TRP A 32 10.225 -0.081 -7.352 1.00 0.00 C ATOM 523 CZ2 TRP A 32 11.911 -0.416 -5.109 1.00 0.00 C ATOM 524 CZ3 TRP A 32 10.543 -1.337 -6.871 1.00 0.00 C ATOM 525 CH2 TRP A 32 11.379 -1.497 -5.758 1.00 0.00 C ATOM 0 H TRP A 32 7.934 4.449 -9.175 1.00 0.00 H new ATOM 0 HA TRP A 32 8.260 1.709 -8.133 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.277 2.879 -8.965 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.965 4.219 -7.880 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.528 4.112 -5.829 1.00 0.00 H new ATOM 0 HE1 TRP A 32 12.584 2.270 -4.351 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.579 0.032 -8.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 12.556 -0.541 -4.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 10.140 -2.211 -7.362 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.608 -2.492 -5.406 1.00 0.00 H new ATOM 536 N VAL A 33 7.417 2.117 -5.850 1.00 0.00 N ATOM 537 CA VAL A 33 6.827 2.323 -4.533 1.00 0.00 C ATOM 538 C VAL A 33 7.682 1.689 -3.442 1.00 0.00 C ATOM 539 O VAL A 33 8.162 0.565 -3.589 1.00 0.00 O ATOM 540 CB VAL A 33 5.403 1.740 -4.458 1.00 0.00 C ATOM 541 CG1 VAL A 33 4.705 2.197 -3.187 1.00 0.00 C ATOM 542 CG2 VAL A 33 4.601 2.134 -5.689 1.00 0.00 C ATOM 0 H VAL A 33 7.536 1.138 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 33 6.779 3.400 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 33 5.475 0.653 -4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.701 1.775 -3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.271 1.859 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.642 3.285 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.598 1.714 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.536 3.220 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.094 1.751 -6.582 1.00 0.00 H new ATOM 552 N VAL A 34 7.868 2.417 -2.345 1.00 0.00 N ATOM 553 CA VAL A 34 8.665 1.925 -1.227 1.00 0.00 C ATOM 554 C VAL A 34 7.939 2.131 0.097 1.00 0.00 C ATOM 555 O VAL A 34 7.638 3.261 0.483 1.00 0.00 O ATOM 556 CB VAL A 34 10.035 2.625 -1.163 1.00 0.00 C ATOM 557 CG1 VAL A 34 10.780 2.226 0.101 1.00 0.00 C ATOM 558 CG2 VAL A 34 10.857 2.301 -2.401 1.00 0.00 C ATOM 0 H VAL A 34 7.478 3.349 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 34 8.818 0.859 -1.392 1.00 0.00 H new ATOM 0 HB VAL A 34 9.872 3.702 -1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.746 2.731 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.195 2.514 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.934 1.147 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.822 2.804 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 34 11.013 1.224 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.326 2.643 -3.290 1.00 0.00 H new ATOM 568 N PHE A 35 7.660 1.032 0.790 1.00 0.00 N ATOM 569 CA PHE A 35 6.968 1.092 2.073 1.00 0.00 C ATOM 570 C PHE A 35 7.964 1.089 3.229 1.00 0.00 C ATOM 571 O PHE A 35 8.913 0.304 3.245 1.00 0.00 O ATOM 572 CB PHE A 35 6.005 -0.089 2.212 1.00 0.00 C ATOM 573 CG PHE A 35 5.417 -0.224 3.588 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.757 0.840 4.181 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.525 -1.415 4.288 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.214 0.719 5.446 1.00 0.00 C ATOM 577 CE2 PHE A 35 4.984 -1.541 5.553 1.00 0.00 C ATOM 578 CZ PHE A 35 4.329 -0.473 6.134 1.00 0.00 C ATOM 0 H PHE A 35 7.902 0.089 0.485 1.00 0.00 H new ATOM 0 HA PHE A 35 6.400 2.022 2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.197 0.025 1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.532 -1.009 1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.666 1.775 3.648 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.037 -2.254 3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.700 1.556 5.896 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.073 -2.475 6.088 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.908 -0.570 7.124 1.00 0.00 H new ATOM 588 N LYS A 36 7.742 1.974 4.195 1.00 0.00 N ATOM 589 CA LYS A 36 8.618 2.075 5.356 1.00 0.00 C ATOM 590 C LYS A 36 7.835 1.866 6.648 1.00 0.00 C ATOM 591 O LYS A 36 6.618 2.048 6.683 1.00 0.00 O ATOM 592 CB LYS A 36 9.310 3.440 5.382 1.00 0.00 C ATOM 593 CG LYS A 36 10.252 3.622 6.559 1.00 0.00 C ATOM 594 CD LYS A 36 11.464 2.713 6.449 1.00 0.00 C ATOM 595 CE LYS A 36 12.687 3.333 7.109 1.00 0.00 C ATOM 596 NZ LYS A 36 13.310 4.378 6.250 1.00 0.00 N ATOM 0 H LYS A 36 6.962 2.632 4.197 1.00 0.00 H new ATOM 0 HA LYS A 36 9.373 1.293 5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.869 3.572 4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.551 4.222 5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.578 4.661 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.721 3.411 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.244 1.753 6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.677 2.514 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.401 3.772 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.419 2.554 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.159 4.752 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.575 3.962 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.631 5.150 6.095 1.00 0.00 H new ATOM 610 N GLU A 37 8.541 1.484 7.708 1.00 0.00 N ATOM 611 CA GLU A 37 7.910 1.251 9.002 1.00 0.00 C ATOM 612 C GLU A 37 6.704 2.166 9.192 1.00 0.00 C ATOM 613 O GLU A 37 5.558 1.717 9.163 1.00 0.00 O ATOM 614 CB GLU A 37 8.917 1.475 10.132 1.00 0.00 C ATOM 615 CG GLU A 37 10.182 0.645 9.994 1.00 0.00 C ATOM 616 CD GLU A 37 11.167 0.891 11.120 1.00 0.00 C ATOM 617 OE1 GLU A 37 11.817 1.957 11.117 1.00 0.00 O ATOM 618 OE2 GLU A 37 11.289 0.017 12.004 1.00 0.00 O ATOM 0 H GLU A 37 9.549 1.329 7.696 1.00 0.00 H new ATOM 0 HA GLU A 37 7.567 0.217 9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.187 2.531 10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.440 1.240 11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.918 -0.412 9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.660 0.874 9.042 1.00 0.00 H new ATOM 625 N THR A 38 6.971 3.454 9.387 1.00 0.00 N ATOM 626 CA THR A 38 5.909 4.433 9.583 1.00 0.00 C ATOM 627 C THR A 38 5.934 5.497 8.492 1.00 0.00 C ATOM 628 O THR A 38 5.398 6.593 8.666 1.00 0.00 O ATOM 629 CB THR A 38 6.025 5.120 10.957 1.00 0.00 C ATOM 630 OG1 THR A 38 7.404 5.289 11.305 1.00 0.00 O ATOM 631 CG2 THR A 38 5.322 4.303 12.031 1.00 0.00 C ATOM 0 H THR A 38 7.914 3.843 9.413 1.00 0.00 H new ATOM 0 HA THR A 38 4.965 3.890 9.535 1.00 0.00 H new ATOM 0 HB THR A 38 5.545 6.096 10.893 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.469 5.728 12.179 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.417 4.808 12.993 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.267 4.201 11.778 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.778 3.315 12.093 1.00 0.00 H new ATOM 639 N THR A 39 6.559 5.169 7.366 1.00 0.00 N ATOM 640 CA THR A 39 6.654 6.097 6.246 1.00 0.00 C ATOM 641 C THR A 39 6.407 5.387 4.920 1.00 0.00 C ATOM 642 O THR A 39 6.443 4.158 4.847 1.00 0.00 O ATOM 643 CB THR A 39 8.033 6.782 6.199 1.00 0.00 C ATOM 644 OG1 THR A 39 8.577 6.879 7.520 1.00 0.00 O ATOM 645 CG2 THR A 39 7.927 8.170 5.586 1.00 0.00 C ATOM 0 H THR A 39 7.007 4.267 7.205 1.00 0.00 H new ATOM 0 HA THR A 39 5.885 6.854 6.398 1.00 0.00 H new ATOM 0 HB THR A 39 8.694 6.177 5.578 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.454 7.314 7.481 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.913 8.634 5.563 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.540 8.091 4.570 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.252 8.782 6.185 1.00 0.00 H new ATOM 653 N LEU A 40 6.157 6.166 3.874 1.00 0.00 N ATOM 654 CA LEU A 40 5.904 5.611 2.549 1.00 0.00 C ATOM 655 C LEU A 40 6.343 6.583 1.459 1.00 0.00 C ATOM 656 O LEU A 40 5.875 7.720 1.402 1.00 0.00 O ATOM 657 CB LEU A 40 4.419 5.281 2.387 1.00 0.00 C ATOM 658 CG LEU A 40 4.053 4.410 1.185 1.00 0.00 C ATOM 659 CD1 LEU A 40 2.688 3.770 1.387 1.00 0.00 C ATOM 660 CD2 LEU A 40 4.075 5.231 -0.096 1.00 0.00 C ATOM 0 H LEU A 40 6.124 7.185 3.918 1.00 0.00 H new ATOM 0 HA LEU A 40 6.486 4.695 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.078 4.778 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.865 6.217 2.314 1.00 0.00 H new ATOM 0 HG LEU A 40 4.795 3.616 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.444 3.154 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.707 3.148 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.934 4.549 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.812 4.594 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.356 6.046 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.073 5.641 -0.248 1.00 0.00 H new ATOM 672 N SER A 41 7.242 6.127 0.593 1.00 0.00 N ATOM 673 CA SER A 41 7.745 6.957 -0.496 1.00 0.00 C ATOM 674 C SER A 41 7.520 6.279 -1.844 1.00 0.00 C ATOM 675 O SER A 41 7.316 5.067 -1.916 1.00 0.00 O ATOM 676 CB SER A 41 9.235 7.245 -0.299 1.00 0.00 C ATOM 677 OG SER A 41 9.873 6.183 0.389 1.00 0.00 O ATOM 0 H SER A 41 7.637 5.187 0.624 1.00 0.00 H new ATOM 0 HA SER A 41 7.196 7.898 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.711 7.393 -1.268 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.359 8.172 0.261 1.00 0.00 H new ATOM 0 HG SER A 41 10.824 6.390 0.501 1.00 0.00 H new ATOM 683 N TYR A 42 7.559 7.071 -2.910 1.00 0.00 N ATOM 684 CA TYR A 42 7.357 6.549 -4.257 1.00 0.00 C ATOM 685 C TYR A 42 7.919 7.508 -5.302 1.00 0.00 C ATOM 686 O TYR A 42 8.044 8.708 -5.057 1.00 0.00 O ATOM 687 CB TYR A 42 5.869 6.309 -4.516 1.00 0.00 C ATOM 688 CG TYR A 42 5.127 7.545 -4.973 1.00 0.00 C ATOM 689 CD1 TYR A 42 5.242 8.744 -4.281 1.00 0.00 C ATOM 690 CD2 TYR A 42 4.312 7.513 -6.098 1.00 0.00 C ATOM 691 CE1 TYR A 42 4.565 9.875 -4.695 1.00 0.00 C ATOM 692 CE2 TYR A 42 3.632 8.640 -6.520 1.00 0.00 C ATOM 693 CZ TYR A 42 3.762 9.818 -5.815 1.00 0.00 C ATOM 694 OH TYR A 42 3.088 10.943 -6.231 1.00 0.00 O ATOM 0 H TYR A 42 7.728 8.076 -2.868 1.00 0.00 H new ATOM 0 HA TYR A 42 7.890 5.601 -4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.761 5.531 -5.271 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.406 5.934 -3.603 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.871 8.793 -3.405 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.208 6.592 -6.652 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.664 10.799 -4.145 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.003 8.598 -7.397 1.00 0.00 H new ATOM 0 HH TYR A 42 2.568 10.734 -7.035 1.00 0.00 H new ATOM 704 N TYR A 43 8.254 6.970 -6.469 1.00 0.00 N ATOM 705 CA TYR A 43 8.804 7.776 -7.553 1.00 0.00 C ATOM 706 C TYR A 43 8.206 7.364 -8.895 1.00 0.00 C ATOM 707 O TYR A 43 7.451 6.396 -8.982 1.00 0.00 O ATOM 708 CB TYR A 43 10.327 7.638 -7.596 1.00 0.00 C ATOM 709 CG TYR A 43 10.975 7.655 -6.231 1.00 0.00 C ATOM 710 CD1 TYR A 43 10.691 6.670 -5.293 1.00 0.00 C ATOM 711 CD2 TYR A 43 11.872 8.656 -5.878 1.00 0.00 C ATOM 712 CE1 TYR A 43 11.280 6.682 -4.043 1.00 0.00 C ATOM 713 CE2 TYR A 43 12.468 8.675 -4.632 1.00 0.00 C ATOM 714 CZ TYR A 43 12.169 7.686 -3.718 1.00 0.00 C ATOM 715 OH TYR A 43 12.759 7.702 -2.475 1.00 0.00 O ATOM 0 H TYR A 43 8.154 5.979 -6.689 1.00 0.00 H new ATOM 0 HA TYR A 43 8.545 8.818 -7.365 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.585 6.706 -8.100 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.740 8.449 -8.195 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.998 5.881 -5.545 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.107 9.433 -6.590 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.046 5.910 -3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.164 9.460 -4.375 1.00 0.00 H new ATOM 0 HH TYR A 43 13.645 8.116 -2.539 1.00 0.00 H new ATOM 725 N LYS A 44 8.551 8.108 -9.941 1.00 0.00 N ATOM 726 CA LYS A 44 8.052 7.822 -11.281 1.00 0.00 C ATOM 727 C LYS A 44 8.559 6.470 -11.773 1.00 0.00 C ATOM 728 O LYS A 44 7.978 5.871 -12.678 1.00 0.00 O ATOM 729 CB LYS A 44 8.480 8.924 -12.253 1.00 0.00 C ATOM 730 CG LYS A 44 7.499 10.081 -12.330 1.00 0.00 C ATOM 731 CD LYS A 44 7.825 11.159 -11.311 1.00 0.00 C ATOM 732 CE LYS A 44 8.784 12.193 -11.881 1.00 0.00 C ATOM 733 NZ LYS A 44 10.079 11.583 -12.289 1.00 0.00 N ATOM 0 H LYS A 44 9.174 8.914 -9.886 1.00 0.00 H new ATOM 0 HA LYS A 44 6.963 7.788 -11.237 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.455 9.305 -11.951 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.600 8.494 -13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.518 10.509 -13.332 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.487 9.713 -12.160 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.906 11.650 -10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.265 10.702 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.324 12.679 -12.742 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.966 12.968 -11.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.767 12.335 -12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.440 10.986 -11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.936 11.001 -13.139 1.00 0.00 H new ATOM 747 N SER A 45 9.645 5.996 -11.172 1.00 0.00 N ATOM 748 CA SER A 45 10.232 4.715 -11.551 1.00 0.00 C ATOM 749 C SER A 45 11.381 4.346 -10.618 1.00 0.00 C ATOM 750 O SER A 45 11.908 5.196 -9.901 1.00 0.00 O ATOM 751 CB SER A 45 10.730 4.767 -12.996 1.00 0.00 C ATOM 752 OG SER A 45 11.585 3.674 -13.280 1.00 0.00 O ATOM 0 H SER A 45 10.137 6.479 -10.420 1.00 0.00 H new ATOM 0 HA SER A 45 9.460 3.950 -11.467 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.880 4.754 -13.678 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.262 5.703 -13.167 1.00 0.00 H new ATOM 0 HG SER A 45 11.889 3.729 -14.210 1.00 0.00 H new ATOM 758 N GLN A 46 11.761 3.073 -10.633 1.00 0.00 N ATOM 759 CA GLN A 46 12.847 2.591 -9.788 1.00 0.00 C ATOM 760 C GLN A 46 14.167 3.255 -10.165 1.00 0.00 C ATOM 761 O GLN A 46 14.923 3.694 -9.298 1.00 0.00 O ATOM 762 CB GLN A 46 12.975 1.071 -9.904 1.00 0.00 C ATOM 763 CG GLN A 46 13.648 0.424 -8.704 1.00 0.00 C ATOM 764 CD GLN A 46 13.954 -1.044 -8.928 1.00 0.00 C ATOM 765 OE1 GLN A 46 13.785 -1.564 -10.031 1.00 0.00 O ATOM 766 NE2 GLN A 46 14.408 -1.721 -7.880 1.00 0.00 N ATOM 0 H GLN A 46 11.333 2.357 -11.220 1.00 0.00 H new ATOM 0 HA GLN A 46 12.613 2.851 -8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 46 11.982 0.640 -10.030 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.543 0.830 -10.802 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.574 0.954 -8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.004 0.528 -7.831 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.533 -1.250 -6.984 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.632 -2.712 -7.971 1.00 0.00 H new ATOM 775 N ASP A 47 14.438 3.324 -11.464 1.00 0.00 N ATOM 776 CA ASP A 47 15.667 3.935 -11.957 1.00 0.00 C ATOM 777 C ASP A 47 15.837 5.343 -11.395 1.00 0.00 C ATOM 778 O ASP A 47 16.826 5.639 -10.726 1.00 0.00 O ATOM 779 CB ASP A 47 15.663 3.979 -13.486 1.00 0.00 C ATOM 780 CG ASP A 47 15.462 2.610 -14.104 1.00 0.00 C ATOM 781 OD1 ASP A 47 14.301 2.154 -14.170 1.00 0.00 O ATOM 782 OD2 ASP A 47 16.465 1.994 -14.521 1.00 0.00 O ATOM 0 H ASP A 47 13.823 2.964 -12.194 1.00 0.00 H new ATOM 0 HA ASP A 47 16.506 3.326 -11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 47 14.872 4.647 -13.825 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.606 4.398 -13.837 1.00 0.00 H new ATOM 787 N GLU A 48 14.866 6.207 -11.674 1.00 0.00 N ATOM 788 CA GLU A 48 14.910 7.585 -11.198 1.00 0.00 C ATOM 789 C GLU A 48 15.543 7.661 -9.811 1.00 0.00 C ATOM 790 O GLU A 48 16.463 8.444 -9.579 1.00 0.00 O ATOM 791 CB GLU A 48 13.501 8.181 -11.161 1.00 0.00 C ATOM 792 CG GLU A 48 12.901 8.408 -12.538 1.00 0.00 C ATOM 793 CD GLU A 48 13.480 9.624 -13.234 1.00 0.00 C ATOM 794 OE1 GLU A 48 13.246 10.751 -12.749 1.00 0.00 O ATOM 795 OE2 GLU A 48 14.167 9.450 -14.262 1.00 0.00 O ATOM 0 H GLU A 48 14.040 5.978 -12.227 1.00 0.00 H new ATOM 0 HA GLU A 48 15.522 8.162 -11.891 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.849 7.516 -10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.531 9.130 -10.626 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.072 7.526 -13.155 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.822 8.527 -12.445 1.00 0.00 H new ATOM 802 N ALA A 49 15.041 6.842 -8.892 1.00 0.00 N ATOM 803 CA ALA A 49 15.557 6.815 -7.529 1.00 0.00 C ATOM 804 C ALA A 49 17.074 6.660 -7.519 1.00 0.00 C ATOM 805 O ALA A 49 17.686 6.252 -8.506 1.00 0.00 O ATOM 806 CB ALA A 49 14.904 5.689 -6.740 1.00 0.00 C ATOM 0 H ALA A 49 14.278 6.189 -9.067 1.00 0.00 H new ATOM 0 HA ALA A 49 15.312 7.766 -7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.299 5.680 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.826 5.844 -6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.120 4.735 -7.221 1.00 0.00 H new ATOM 812 N PRO A 50 17.696 6.994 -6.379 1.00 0.00 N ATOM 813 CA PRO A 50 16.977 7.481 -5.198 1.00 0.00 C ATOM 814 C PRO A 50 16.400 8.877 -5.407 1.00 0.00 C ATOM 815 O PRO A 50 15.247 9.140 -5.068 1.00 0.00 O ATOM 816 CB PRO A 50 18.055 7.505 -4.112 1.00 0.00 C ATOM 817 CG PRO A 50 19.338 7.651 -4.854 1.00 0.00 C ATOM 818 CD PRO A 50 19.149 6.921 -6.155 1.00 0.00 C ATOM 0 HA PRO A 50 16.120 6.853 -4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 50 17.901 8.333 -3.420 1.00 0.00 H new ATOM 0 HB3 PRO A 50 18.042 6.589 -3.521 1.00 0.00 H new ATOM 0 HG2 PRO A 50 19.572 8.702 -5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 50 20.167 7.229 -4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.705 7.393 -6.965 1.00 0.00 H new ATOM 0 HD3 PRO A 50 19.494 5.889 -6.091 1.00 0.00 H new ATOM 826 N GLY A 51 17.210 9.770 -5.967 1.00 0.00 N ATOM 827 CA GLY A 51 16.761 11.128 -6.211 1.00 0.00 C ATOM 828 C GLY A 51 15.803 11.623 -5.146 1.00 0.00 C ATOM 829 O GLY A 51 16.224 12.009 -4.055 1.00 0.00 O ATOM 0 H GLY A 51 18.169 9.577 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 51 17.625 11.791 -6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.273 11.177 -7.185 1.00 0.00 H new ATOM 833 N ASP A 52 14.513 11.613 -5.462 1.00 0.00 N ATOM 834 CA ASP A 52 13.493 12.065 -4.523 1.00 0.00 C ATOM 835 C ASP A 52 12.107 11.605 -4.964 1.00 0.00 C ATOM 836 O ASP A 52 11.723 11.735 -6.127 1.00 0.00 O ATOM 837 CB ASP A 52 13.522 13.589 -4.399 1.00 0.00 C ATOM 838 CG ASP A 52 12.416 14.119 -3.508 1.00 0.00 C ATOM 839 OD1 ASP A 52 11.259 14.186 -3.973 1.00 0.00 O ATOM 840 OD2 ASP A 52 12.707 14.465 -2.344 1.00 0.00 O ATOM 0 H ASP A 52 14.149 11.297 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 52 13.710 11.625 -3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.487 13.900 -3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.430 14.033 -5.390 1.00 0.00 H new ATOM 845 N PRO A 53 11.336 11.052 -4.015 1.00 0.00 N ATOM 846 CA PRO A 53 9.981 10.561 -4.283 1.00 0.00 C ATOM 847 C PRO A 53 8.998 11.693 -4.559 1.00 0.00 C ATOM 848 O PRO A 53 8.914 12.655 -3.795 1.00 0.00 O ATOM 849 CB PRO A 53 9.607 9.832 -2.990 1.00 0.00 C ATOM 850 CG PRO A 53 10.441 10.476 -1.937 1.00 0.00 C ATOM 851 CD PRO A 53 11.729 10.865 -2.609 1.00 0.00 C ATOM 0 HA PRO A 53 9.944 9.930 -5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.544 9.935 -2.771 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.816 8.765 -3.063 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.939 11.349 -1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.624 9.790 -1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.145 11.778 -2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.488 10.090 -2.503 1.00 0.00 H new ATOM 859 N ILE A 54 8.257 11.572 -5.656 1.00 0.00 N ATOM 860 CA ILE A 54 7.279 12.585 -6.031 1.00 0.00 C ATOM 861 C ILE A 54 6.651 13.227 -4.799 1.00 0.00 C ATOM 862 O ILE A 54 6.506 14.447 -4.728 1.00 0.00 O ATOM 863 CB ILE A 54 6.164 11.992 -6.913 1.00 0.00 C ATOM 864 CG1 ILE A 54 6.750 11.445 -8.216 1.00 0.00 C ATOM 865 CG2 ILE A 54 5.103 13.042 -7.203 1.00 0.00 C ATOM 866 CD1 ILE A 54 5.976 10.276 -8.783 1.00 0.00 C ATOM 0 H ILE A 54 8.316 10.783 -6.300 1.00 0.00 H new ATOM 0 HA ILE A 54 7.815 13.345 -6.599 1.00 0.00 H new ATOM 0 HB ILE A 54 5.695 11.169 -6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.778 12.245 -8.956 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.781 11.137 -8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.322 12.608 -7.827 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.668 13.388 -6.266 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.558 13.884 -7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.448 9.940 -9.706 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.969 9.459 -8.061 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.952 10.585 -8.991 1.00 0.00 H new ATOM 878 N GLN A 55 6.282 12.396 -3.830 1.00 0.00 N ATOM 879 CA GLN A 55 5.670 12.882 -2.599 1.00 0.00 C ATOM 880 C GLN A 55 5.450 11.741 -1.612 1.00 0.00 C ATOM 881 O GLN A 55 5.010 10.656 -1.991 1.00 0.00 O ATOM 882 CB GLN A 55 4.339 13.571 -2.904 1.00 0.00 C ATOM 883 CG GLN A 55 3.354 12.688 -3.654 1.00 0.00 C ATOM 884 CD GLN A 55 1.987 13.327 -3.794 1.00 0.00 C ATOM 885 OE1 GLN A 55 1.856 14.429 -4.330 1.00 0.00 O ATOM 886 NE2 GLN A 55 0.959 12.638 -3.313 1.00 0.00 N ATOM 0 H GLN A 55 6.396 11.383 -3.873 1.00 0.00 H new ATOM 0 HA GLN A 55 6.350 13.604 -2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.884 13.895 -1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.530 14.468 -3.492 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.751 12.468 -4.645 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.254 11.736 -3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.114 11.729 -2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.015 13.018 -3.380 1.00 0.00 H new ATOM 895 N GLN A 56 5.761 11.993 -0.344 1.00 0.00 N ATOM 896 CA GLN A 56 5.598 10.985 0.697 1.00 0.00 C ATOM 897 C GLN A 56 4.443 11.344 1.627 1.00 0.00 C ATOM 898 O GLN A 56 3.940 12.468 1.603 1.00 0.00 O ATOM 899 CB GLN A 56 6.890 10.840 1.502 1.00 0.00 C ATOM 900 CG GLN A 56 7.226 12.064 2.339 1.00 0.00 C ATOM 901 CD GLN A 56 6.626 12.002 3.730 1.00 0.00 C ATOM 902 OE1 GLN A 56 5.800 11.137 4.025 1.00 0.00 O ATOM 903 NE2 GLN A 56 7.038 12.922 4.594 1.00 0.00 N ATOM 0 H GLN A 56 6.127 12.886 -0.013 1.00 0.00 H new ATOM 0 HA GLN A 56 5.370 10.035 0.215 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.804 9.974 2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.714 10.641 0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.309 12.159 2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.864 12.958 1.831 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.724 13.620 4.307 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.669 12.931 5.545 1.00 0.00 H new ATOM 912 N LEU A 57 4.027 10.383 2.444 1.00 0.00 N ATOM 913 CA LEU A 57 2.931 10.597 3.382 1.00 0.00 C ATOM 914 C LEU A 57 3.111 9.744 4.634 1.00 0.00 C ATOM 915 O LEU A 57 2.992 8.521 4.585 1.00 0.00 O ATOM 916 CB LEU A 57 1.593 10.270 2.716 1.00 0.00 C ATOM 917 CG LEU A 57 1.481 10.613 1.230 1.00 0.00 C ATOM 918 CD1 LEU A 57 0.447 9.726 0.555 1.00 0.00 C ATOM 919 CD2 LEU A 57 1.129 12.082 1.046 1.00 0.00 C ATOM 0 H LEU A 57 4.432 9.448 2.476 1.00 0.00 H new ATOM 0 HA LEU A 57 2.937 11.647 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.400 9.204 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.805 10.800 3.251 1.00 0.00 H new ATOM 0 HG LEU A 57 2.448 10.431 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.381 9.984 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.742 8.682 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.524 9.876 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.054 12.308 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.175 12.291 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.906 12.701 1.494 1.00 0.00 H new ATOM 931 N ASN A 58 3.397 10.400 5.754 1.00 0.00 N ATOM 932 CA ASN A 58 3.591 9.701 7.020 1.00 0.00 C ATOM 933 C ASN A 58 2.319 8.972 7.440 1.00 0.00 C ATOM 934 O ASN A 58 1.439 9.552 8.077 1.00 0.00 O ATOM 935 CB ASN A 58 4.011 10.688 8.111 1.00 0.00 C ATOM 936 CG ASN A 58 4.868 10.038 9.180 1.00 0.00 C ATOM 937 OD1 ASN A 58 4.612 10.191 10.374 1.00 0.00 O ATOM 938 ND2 ASN A 58 5.893 9.309 8.753 1.00 0.00 N ATOM 0 H ASN A 58 3.500 11.413 5.811 1.00 0.00 H new ATOM 0 HA ASN A 58 4.382 8.963 6.882 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.562 11.512 7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.121 11.115 8.573 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.506 8.848 9.425 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.067 9.210 7.753 1.00 0.00 H new ATOM 945 N LEU A 59 2.229 7.697 7.079 1.00 0.00 N ATOM 946 CA LEU A 59 1.064 6.886 7.419 1.00 0.00 C ATOM 947 C LEU A 59 0.717 7.025 8.898 1.00 0.00 C ATOM 948 O LEU A 59 -0.402 6.724 9.315 1.00 0.00 O ATOM 949 CB LEU A 59 1.324 5.417 7.080 1.00 0.00 C ATOM 950 CG LEU A 59 1.548 5.099 5.602 1.00 0.00 C ATOM 951 CD1 LEU A 59 2.367 3.827 5.448 1.00 0.00 C ATOM 952 CD2 LEU A 59 0.217 4.969 4.876 1.00 0.00 C ATOM 0 H LEU A 59 2.948 7.202 6.551 1.00 0.00 H new ATOM 0 HA LEU A 59 0.219 7.244 6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.199 5.085 7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.478 4.828 7.434 1.00 0.00 H new ATOM 0 HG LEU A 59 2.105 5.922 5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.516 3.616 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.335 3.957 5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.838 2.995 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.396 4.743 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.366 4.165 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.334 5.906 4.956 1.00 0.00 H new ATOM 964 N LYS A 60 1.682 7.485 9.686 1.00 0.00 N ATOM 965 CA LYS A 60 1.479 7.668 11.119 1.00 0.00 C ATOM 966 C LYS A 60 0.379 8.690 11.386 1.00 0.00 C ATOM 967 O LYS A 60 0.656 9.863 11.633 1.00 0.00 O ATOM 968 CB LYS A 60 2.781 8.117 11.786 1.00 0.00 C ATOM 969 CG LYS A 60 2.916 7.657 13.227 1.00 0.00 C ATOM 970 CD LYS A 60 1.676 7.991 14.038 1.00 0.00 C ATOM 971 CE LYS A 60 1.946 7.902 15.532 1.00 0.00 C ATOM 972 NZ LYS A 60 2.853 8.987 15.998 1.00 0.00 N ATOM 0 H LYS A 60 2.614 7.738 9.357 1.00 0.00 H new ATOM 0 HA LYS A 60 1.172 6.712 11.543 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.625 7.735 11.211 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.840 9.205 11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.089 6.581 13.252 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.787 8.130 13.681 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.336 8.996 13.788 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.870 7.307 13.771 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.003 7.959 16.075 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.389 6.934 15.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.775 9.085 17.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.834 8.752 15.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.584 9.883 15.544 1.00 0.00 H new ATOM 986 N GLY A 61 -0.870 8.236 11.336 1.00 0.00 N ATOM 987 CA GLY A 61 -1.992 9.125 11.576 1.00 0.00 C ATOM 988 C GLY A 61 -2.940 9.194 10.395 1.00 0.00 C ATOM 989 O GLY A 61 -3.810 10.064 10.339 1.00 0.00 O ATOM 0 H GLY A 61 -1.125 7.269 11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.538 8.787 12.457 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.619 10.125 11.797 1.00 0.00 H new ATOM 993 N CYS A 62 -2.771 8.277 9.449 1.00 0.00 N ATOM 994 CA CYS A 62 -3.617 8.239 8.262 1.00 0.00 C ATOM 995 C CYS A 62 -4.802 7.301 8.469 1.00 0.00 C ATOM 996 O CYS A 62 -4.916 6.650 9.506 1.00 0.00 O ATOM 997 CB CYS A 62 -2.805 7.793 7.045 1.00 0.00 C ATOM 998 SG CYS A 62 -2.394 6.032 7.037 1.00 0.00 S ATOM 0 H CYS A 62 -2.056 7.550 9.481 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.999 9.245 8.086 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.367 8.028 6.141 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.882 8.371 7.006 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.485 5.795 7.935 1.00 0.00 H new ATOM 1004 N GLU A 63 -5.683 7.240 7.474 1.00 0.00 N ATOM 1005 CA GLU A 63 -6.861 6.384 7.550 1.00 0.00 C ATOM 1006 C GLU A 63 -6.767 5.239 6.544 1.00 0.00 C ATOM 1007 O GLU A 63 -6.287 5.420 5.425 1.00 0.00 O ATOM 1008 CB GLU A 63 -8.129 7.200 7.293 1.00 0.00 C ATOM 1009 CG GLU A 63 -9.355 6.661 8.010 1.00 0.00 C ATOM 1010 CD GLU A 63 -9.508 7.227 9.409 1.00 0.00 C ATOM 1011 OE1 GLU A 63 -9.409 8.462 9.564 1.00 0.00 O ATOM 1012 OE2 GLU A 63 -9.727 6.433 10.348 1.00 0.00 O ATOM 0 H GLU A 63 -5.603 7.772 6.608 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.907 5.961 8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.958 8.230 7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.326 7.222 6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.245 6.897 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.290 5.574 8.067 1.00 0.00 H new ATOM 1019 N VAL A 64 -7.228 4.061 6.952 1.00 0.00 N ATOM 1020 CA VAL A 64 -7.197 2.887 6.089 1.00 0.00 C ATOM 1021 C VAL A 64 -8.605 2.382 5.797 1.00 0.00 C ATOM 1022 O VAL A 64 -9.368 2.073 6.713 1.00 0.00 O ATOM 1023 CB VAL A 64 -6.375 1.748 6.720 1.00 0.00 C ATOM 1024 CG1 VAL A 64 -6.422 0.506 5.842 1.00 0.00 C ATOM 1025 CG2 VAL A 64 -4.939 2.192 6.952 1.00 0.00 C ATOM 0 H VAL A 64 -7.628 3.895 7.876 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.723 3.193 5.156 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.814 1.499 7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.836 -0.288 6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.455 0.177 5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.009 0.738 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.373 1.374 7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.486 2.470 6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.928 3.050 7.624 1.00 0.00 H new ATOM 1035 N VAL A 65 -8.945 2.301 4.514 1.00 0.00 N ATOM 1036 CA VAL A 65 -10.262 1.831 4.101 1.00 0.00 C ATOM 1037 C VAL A 65 -10.149 0.664 3.127 1.00 0.00 C ATOM 1038 O VAL A 65 -9.974 0.843 1.922 1.00 0.00 O ATOM 1039 CB VAL A 65 -11.078 2.959 3.441 1.00 0.00 C ATOM 1040 CG1 VAL A 65 -12.434 2.442 2.988 1.00 0.00 C ATOM 1041 CG2 VAL A 65 -11.237 4.131 4.397 1.00 0.00 C ATOM 0 H VAL A 65 -8.327 2.555 3.743 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.777 1.499 5.003 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.537 3.308 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.996 3.253 2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.294 1.638 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.985 2.064 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.816 4.918 3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.755 3.799 5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.254 4.517 4.666 1.00 0.00 H new ATOM 1051 N PRO A 66 -10.250 -0.563 3.660 1.00 0.00 N ATOM 1052 CA PRO A 66 -10.163 -1.785 2.855 1.00 0.00 C ATOM 1053 C PRO A 66 -11.376 -1.971 1.950 1.00 0.00 C ATOM 1054 O PRO A 66 -12.506 -2.085 2.425 1.00 0.00 O ATOM 1055 CB PRO A 66 -10.105 -2.897 3.905 1.00 0.00 C ATOM 1056 CG PRO A 66 -10.774 -2.322 5.105 1.00 0.00 C ATOM 1057 CD PRO A 66 -10.459 -0.851 5.089 1.00 0.00 C ATOM 0 HA PRO A 66 -9.306 -1.769 2.182 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.617 -3.795 3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.076 -3.181 4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.850 -2.491 5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.407 -2.790 6.018 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.276 -0.260 5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.571 -0.624 5.679 1.00 0.00 H new ATOM 1065 N ASP A 67 -11.135 -2.000 0.644 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.208 -2.174 -0.328 1.00 0.00 C ATOM 1067 C ASP A 67 -12.042 -3.483 -1.093 1.00 0.00 C ATOM 1068 O ASP A 67 -12.397 -3.578 -2.268 1.00 0.00 O ATOM 1069 CB ASP A 67 -12.234 -0.998 -1.306 1.00 0.00 C ATOM 1070 CG ASP A 67 -13.619 -0.741 -1.865 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -14.606 -0.979 -1.138 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -13.717 -0.303 -3.031 1.00 0.00 O ATOM 0 H ASP A 67 -10.206 -1.905 0.234 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.153 -2.208 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.877 -0.101 -0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.545 -1.197 -2.127 1.00 0.00 H new ATOM 1077 N VAL A 68 -11.499 -4.492 -0.418 1.00 0.00 N ATOM 1078 CA VAL A 68 -11.285 -5.796 -1.033 1.00 0.00 C ATOM 1079 C VAL A 68 -12.606 -6.529 -1.240 1.00 0.00 C ATOM 1080 O VAL A 68 -13.516 -6.433 -0.417 1.00 0.00 O ATOM 1081 CB VAL A 68 -10.352 -6.674 -0.179 1.00 0.00 C ATOM 1082 CG1 VAL A 68 -9.130 -5.883 0.261 1.00 0.00 C ATOM 1083 CG2 VAL A 68 -11.098 -7.231 1.024 1.00 0.00 C ATOM 0 H VAL A 68 -11.199 -4.431 0.555 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.816 -5.616 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.013 -7.512 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.482 -6.520 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.585 -5.538 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.446 -5.024 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.423 -7.849 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.468 -6.408 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.938 -7.835 0.683 1.00 0.00 H new ATOM 1093 N ASN A 69 -12.703 -7.263 -2.344 1.00 0.00 N ATOM 1094 CA ASN A 69 -13.914 -8.013 -2.659 1.00 0.00 C ATOM 1095 C ASN A 69 -13.577 -9.448 -3.054 1.00 0.00 C ATOM 1096 O ASN A 69 -13.447 -9.763 -4.237 1.00 0.00 O ATOM 1097 CB ASN A 69 -14.683 -7.328 -3.790 1.00 0.00 C ATOM 1098 CG ASN A 69 -15.451 -6.110 -3.312 1.00 0.00 C ATOM 1099 OD1 ASN A 69 -16.222 -6.185 -2.356 1.00 0.00 O ATOM 1100 ND2 ASN A 69 -15.242 -4.981 -3.979 1.00 0.00 N ATOM 0 H ASN A 69 -11.958 -7.354 -3.035 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.539 -8.038 -1.767 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.985 -7.030 -4.572 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -15.377 -8.040 -4.237 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.730 -4.129 -3.704 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.593 -4.966 -4.766 1.00 0.00 H new ATOM 1107 N VAL A 70 -13.438 -10.314 -2.055 1.00 0.00 N ATOM 1108 CA VAL A 70 -13.118 -11.715 -2.297 1.00 0.00 C ATOM 1109 C VAL A 70 -13.948 -12.278 -3.446 1.00 0.00 C ATOM 1110 O VAL A 70 -13.466 -13.091 -4.233 1.00 0.00 O ATOM 1111 CB VAL A 70 -13.357 -12.571 -1.039 1.00 0.00 C ATOM 1112 CG1 VAL A 70 -13.070 -14.037 -1.327 1.00 0.00 C ATOM 1113 CG2 VAL A 70 -12.503 -12.069 0.116 1.00 0.00 C ATOM 0 H VAL A 70 -13.542 -10.069 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.061 -11.757 -2.561 1.00 0.00 H new ATOM 0 HB VAL A 70 -14.405 -12.481 -0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.244 -14.626 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.728 -14.387 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.032 -14.150 -1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.684 -12.685 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.450 -12.128 -0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.763 -11.034 0.337 1.00 0.00 H new ATOM 1123 N SER A 71 -15.199 -11.838 -3.535 1.00 0.00 N ATOM 1124 CA SER A 71 -16.098 -12.300 -4.586 1.00 0.00 C ATOM 1125 C SER A 71 -15.339 -12.530 -5.889 1.00 0.00 C ATOM 1126 O SER A 71 -15.558 -13.522 -6.582 1.00 0.00 O ATOM 1127 CB SER A 71 -17.221 -11.285 -4.809 1.00 0.00 C ATOM 1128 OG SER A 71 -18.065 -11.200 -3.674 1.00 0.00 O ATOM 0 H SER A 71 -15.613 -11.163 -2.892 1.00 0.00 H new ATOM 0 HA SER A 71 -16.532 -13.248 -4.267 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.793 -10.305 -5.022 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.808 -11.573 -5.681 1.00 0.00 H new ATOM 0 HG SER A 71 -18.773 -10.544 -3.841 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.443 -11.603 -6.216 1.00 0.00 N ATOM 1135 CA GLY A 72 -13.664 -11.722 -7.434 1.00 0.00 C ATOM 1136 C GLY A 72 -12.176 -11.570 -7.188 1.00 0.00 C ATOM 1137 O GLY A 72 -11.498 -10.822 -7.891 1.00 0.00 O ATOM 0 H GLY A 72 -14.243 -10.772 -5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.856 -12.693 -7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.991 -10.964 -8.146 1.00 0.00 H new ATOM 1141 N GLN A 73 -11.668 -12.280 -6.186 1.00 0.00 N ATOM 1142 CA GLN A 73 -10.251 -12.219 -5.848 1.00 0.00 C ATOM 1143 C GLN A 73 -9.707 -10.807 -6.038 1.00 0.00 C ATOM 1144 O GLN A 73 -8.630 -10.616 -6.604 1.00 0.00 O ATOM 1145 CB GLN A 73 -9.457 -13.204 -6.707 1.00 0.00 C ATOM 1146 CG GLN A 73 -9.825 -14.659 -6.461 1.00 0.00 C ATOM 1147 CD GLN A 73 -9.490 -15.116 -5.055 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -8.396 -15.621 -4.798 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -10.431 -14.941 -4.135 1.00 0.00 N ATOM 0 H GLN A 73 -12.216 -12.904 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.141 -12.493 -4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.620 -12.969 -7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.393 -13.069 -6.511 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.892 -14.795 -6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.299 -15.289 -7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.323 -14.518 -4.392 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.262 -15.229 -3.171 1.00 0.00 H new ATOM 1158 N LYS A 74 -10.458 -9.820 -5.562 1.00 0.00 N ATOM 1159 CA LYS A 74 -10.052 -8.424 -5.679 1.00 0.00 C ATOM 1160 C LYS A 74 -9.623 -7.868 -4.325 1.00 0.00 C ATOM 1161 O LYS A 74 -10.299 -8.071 -3.316 1.00 0.00 O ATOM 1162 CB LYS A 74 -11.197 -7.584 -6.248 1.00 0.00 C ATOM 1163 CG LYS A 74 -10.903 -6.094 -6.276 1.00 0.00 C ATOM 1164 CD LYS A 74 -12.153 -5.284 -6.575 1.00 0.00 C ATOM 1165 CE LYS A 74 -12.440 -5.234 -8.068 1.00 0.00 C ATOM 1166 NZ LYS A 74 -13.432 -4.176 -8.407 1.00 0.00 N ATOM 0 H LYS A 74 -11.352 -9.961 -5.091 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.201 -8.374 -6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.416 -7.922 -7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.094 -7.758 -5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.490 -5.786 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.145 -5.886 -7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.005 -5.721 -6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.031 -4.271 -6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.513 -5.049 -8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.815 -6.203 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.601 -4.174 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.326 -4.366 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.064 -3.248 -8.115 1.00 0.00 H new ATOM 1180 N PHE A 75 -8.496 -7.164 -4.310 1.00 0.00 N ATOM 1181 CA PHE A 75 -7.977 -6.577 -3.079 1.00 0.00 C ATOM 1182 C PHE A 75 -7.468 -5.160 -3.325 1.00 0.00 C ATOM 1183 O PHE A 75 -6.534 -4.950 -4.100 1.00 0.00 O ATOM 1184 CB PHE A 75 -6.852 -7.444 -2.511 1.00 0.00 C ATOM 1185 CG PHE A 75 -7.145 -8.916 -2.562 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -6.869 -9.652 -3.703 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -7.697 -9.565 -1.469 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -7.139 -11.007 -3.753 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -7.968 -10.919 -1.512 1.00 0.00 C ATOM 1190 CZ PHE A 75 -7.688 -11.641 -2.656 1.00 0.00 C ATOM 0 H PHE A 75 -7.924 -6.986 -5.136 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.791 -6.531 -2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.935 -7.245 -3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.668 -7.154 -1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.438 -9.162 -4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.918 -9.005 -0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.921 -11.569 -4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.398 -11.412 -0.653 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.898 -12.700 -2.692 1.00 0.00 H new ATOM 1200 N CYS A 76 -8.088 -4.192 -2.660 1.00 0.00 N ATOM 1201 CA CYS A 76 -7.700 -2.793 -2.806 1.00 0.00 C ATOM 1202 C CYS A 76 -7.359 -2.179 -1.452 1.00 0.00 C ATOM 1203 O CYS A 76 -7.884 -2.599 -0.420 1.00 0.00 O ATOM 1204 CB CYS A 76 -8.823 -1.997 -3.473 1.00 0.00 C ATOM 1205 SG CYS A 76 -8.719 -1.945 -5.277 1.00 0.00 S ATOM 0 H CYS A 76 -8.862 -4.350 -2.014 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.812 -2.752 -3.437 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -9.781 -2.431 -3.187 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.808 -0.977 -3.089 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.390 -2.939 -5.779 1.00 0.00 H new ATOM 1211 N ILE A 77 -6.478 -1.185 -1.464 1.00 0.00 N ATOM 1212 CA ILE A 77 -6.067 -0.514 -0.237 1.00 0.00 C ATOM 1213 C ILE A 77 -6.069 1.001 -0.412 1.00 0.00 C ATOM 1214 O ILE A 77 -5.149 1.570 -1.000 1.00 0.00 O ATOM 1215 CB ILE A 77 -4.665 -0.967 0.210 1.00 0.00 C ATOM 1216 CG1 ILE A 77 -4.558 -2.492 0.163 1.00 0.00 C ATOM 1217 CG2 ILE A 77 -4.363 -0.452 1.609 1.00 0.00 C ATOM 1218 CD1 ILE A 77 -3.142 -3.004 0.309 1.00 0.00 C ATOM 0 H ILE A 77 -6.035 -0.826 -2.310 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.790 -0.789 0.531 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.929 -0.549 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.172 -2.916 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.969 -2.848 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.368 -0.781 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.402 0.637 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.102 -0.843 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.143 -4.093 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.527 -2.610 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.734 -2.679 1.266 1.00 0.00 H new ATOM 1230 N LYS A 78 -7.107 1.650 0.104 1.00 0.00 N ATOM 1231 CA LYS A 78 -7.228 3.100 0.008 1.00 0.00 C ATOM 1232 C LYS A 78 -6.410 3.787 1.097 1.00 0.00 C ATOM 1233 O LYS A 78 -6.594 3.522 2.286 1.00 0.00 O ATOM 1234 CB LYS A 78 -8.696 3.517 0.118 1.00 0.00 C ATOM 1235 CG LYS A 78 -8.959 4.942 -0.340 1.00 0.00 C ATOM 1236 CD LYS A 78 -10.127 5.562 0.409 1.00 0.00 C ATOM 1237 CE LYS A 78 -9.666 6.273 1.671 1.00 0.00 C ATOM 1238 NZ LYS A 78 -10.810 6.643 2.549 1.00 0.00 N ATOM 0 H LYS A 78 -7.877 1.194 0.593 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.840 3.409 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.304 2.835 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.018 3.412 1.154 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.065 5.546 -0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.167 4.949 -1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.643 6.269 -0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.846 4.786 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.980 5.629 2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.111 7.171 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.519 6.575 3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.107 7.618 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.605 5.995 2.376 1.00 0.00 H new ATOM 1252 N LEU A 79 -5.509 4.671 0.684 1.00 0.00 N ATOM 1253 CA LEU A 79 -4.664 5.398 1.625 1.00 0.00 C ATOM 1254 C LEU A 79 -5.092 6.859 1.725 1.00 0.00 C ATOM 1255 O LEU A 79 -4.891 7.641 0.795 1.00 0.00 O ATOM 1256 CB LEU A 79 -3.198 5.313 1.195 1.00 0.00 C ATOM 1257 CG LEU A 79 -2.402 4.134 1.756 1.00 0.00 C ATOM 1258 CD1 LEU A 79 -3.016 2.816 1.310 1.00 0.00 C ATOM 1259 CD2 LEU A 79 -0.946 4.219 1.322 1.00 0.00 C ATOM 0 H LEU A 79 -5.345 4.902 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.776 4.938 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.161 5.265 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.699 6.236 1.491 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.440 4.180 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.437 1.988 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.043 2.753 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.009 2.761 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.395 3.372 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.889 4.198 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.510 5.148 1.691 1.00 0.00 H new ATOM 1271 N LEU A 80 -5.681 7.221 2.860 1.00 0.00 N ATOM 1272 CA LEU A 80 -6.136 8.589 3.083 1.00 0.00 C ATOM 1273 C LEU A 80 -5.256 9.294 4.111 1.00 0.00 C ATOM 1274 O LEU A 80 -5.337 9.016 5.308 1.00 0.00 O ATOM 1275 CB LEU A 80 -7.592 8.593 3.553 1.00 0.00 C ATOM 1276 CG LEU A 80 -8.420 9.816 3.159 1.00 0.00 C ATOM 1277 CD1 LEU A 80 -8.666 9.834 1.659 1.00 0.00 C ATOM 1278 CD2 LEU A 80 -9.739 9.834 3.918 1.00 0.00 C ATOM 0 H LEU A 80 -5.854 6.586 3.640 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.064 9.129 2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.083 7.704 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.603 8.506 4.640 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.858 10.712 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.257 10.712 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.711 9.870 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.206 8.933 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.315 10.711 3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.306 8.933 3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.542 9.871 4.989 1.00 0.00 H new ATOM 1290 N VAL A 81 -4.417 10.209 3.636 1.00 0.00 N ATOM 1291 CA VAL A 81 -3.525 10.957 4.513 1.00 0.00 C ATOM 1292 C VAL A 81 -3.927 12.426 4.584 1.00 0.00 C ATOM 1293 O VAL A 81 -3.664 13.211 3.673 1.00 0.00 O ATOM 1294 CB VAL A 81 -2.062 10.858 4.042 1.00 0.00 C ATOM 1295 CG1 VAL A 81 -1.150 11.658 4.960 1.00 0.00 C ATOM 1296 CG2 VAL A 81 -1.621 9.404 3.974 1.00 0.00 C ATOM 0 H VAL A 81 -4.337 10.450 2.648 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.611 10.512 5.505 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.992 11.282 3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.120 11.576 4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.454 12.705 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.222 11.267 5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.585 9.353 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.706 8.951 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.256 8.864 3.272 1.00 0.00 H new ATOM 1306 N PRO A 82 -4.580 12.808 5.691 1.00 0.00 N ATOM 1307 CA PRO A 82 -5.032 14.186 5.908 1.00 0.00 C ATOM 1308 C PRO A 82 -3.871 15.146 6.142 1.00 0.00 C ATOM 1309 O PRO A 82 -2.957 14.854 6.912 1.00 0.00 O ATOM 1310 CB PRO A 82 -5.901 14.081 7.163 1.00 0.00 C ATOM 1311 CG PRO A 82 -5.385 12.883 7.882 1.00 0.00 C ATOM 1312 CD PRO A 82 -4.927 11.925 6.817 1.00 0.00 C ATOM 0 HA PRO A 82 -5.559 14.584 5.041 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.819 14.977 7.778 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.954 13.966 6.907 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.563 13.151 8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.162 12.435 8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.070 11.338 7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.712 11.219 6.547 1.00 0.00 H new ATOM 1320 N SER A 83 -3.915 16.294 5.474 1.00 0.00 N ATOM 1321 CA SER A 83 -2.864 17.297 5.607 1.00 0.00 C ATOM 1322 C SER A 83 -3.375 18.676 5.202 1.00 0.00 C ATOM 1323 O SER A 83 -4.289 18.813 4.388 1.00 0.00 O ATOM 1324 CB SER A 83 -1.655 16.916 4.751 1.00 0.00 C ATOM 1325 OG SER A 83 -0.985 15.789 5.288 1.00 0.00 O ATOM 0 H SER A 83 -4.667 16.553 4.835 1.00 0.00 H new ATOM 0 HA SER A 83 -2.561 17.334 6.653 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.980 16.699 3.733 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.966 17.759 4.693 1.00 0.00 H new ATOM 0 HG SER A 83 -1.532 15.390 5.996 1.00 0.00 H new ATOM 1331 N PRO A 84 -2.772 19.724 5.782 1.00 0.00 N ATOM 1332 CA PRO A 84 -3.148 21.112 5.497 1.00 0.00 C ATOM 1333 C PRO A 84 -2.754 21.541 4.088 1.00 0.00 C ATOM 1334 O PRO A 84 -2.995 22.679 3.687 1.00 0.00 O ATOM 1335 CB PRO A 84 -2.364 21.913 6.539 1.00 0.00 C ATOM 1336 CG PRO A 84 -1.194 21.054 6.876 1.00 0.00 C ATOM 1337 CD PRO A 84 -1.676 19.635 6.762 1.00 0.00 C ATOM 0 HA PRO A 84 -4.227 21.261 5.548 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.046 22.876 6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.972 22.118 7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.364 21.240 6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.833 21.264 7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.885 18.968 6.420 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.024 19.251 7.721 1.00 0.00 H new ATOM 1345 N GLU A 85 -2.147 20.623 3.342 1.00 0.00 N ATOM 1346 CA GLU A 85 -1.720 20.909 1.978 1.00 0.00 C ATOM 1347 C GLU A 85 -2.813 20.543 0.978 1.00 0.00 C ATOM 1348 O GLU A 85 -3.073 21.280 0.027 1.00 0.00 O ATOM 1349 CB GLU A 85 -0.437 20.142 1.650 1.00 0.00 C ATOM 1350 CG GLU A 85 0.340 20.727 0.483 1.00 0.00 C ATOM 1351 CD GLU A 85 1.630 19.979 0.208 1.00 0.00 C ATOM 1352 OE1 GLU A 85 1.561 18.776 -0.117 1.00 0.00 O ATOM 1353 OE2 GLU A 85 2.709 20.599 0.317 1.00 0.00 O ATOM 0 H GLU A 85 -1.940 19.676 3.659 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.525 21.979 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.204 20.128 2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.691 19.106 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.284 20.708 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.568 21.773 0.691 1.00 0.00 H new ATOM 1360 N GLY A 86 -3.451 19.397 1.200 1.00 0.00 N ATOM 1361 CA GLY A 86 -4.508 18.952 0.310 1.00 0.00 C ATOM 1362 C GLY A 86 -4.726 17.453 0.374 1.00 0.00 C ATOM 1363 O GLY A 86 -3.818 16.674 0.084 1.00 0.00 O ATOM 0 H GLY A 86 -3.255 18.769 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.436 19.462 0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.262 19.237 -0.713 1.00 0.00 H new ATOM 1367 N MET A 87 -5.933 17.048 0.755 1.00 0.00 N ATOM 1368 CA MET A 87 -6.267 15.632 0.856 1.00 0.00 C ATOM 1369 C MET A 87 -5.549 14.826 -0.221 1.00 0.00 C ATOM 1370 O MET A 87 -5.482 15.240 -1.378 1.00 0.00 O ATOM 1371 CB MET A 87 -7.779 15.433 0.735 1.00 0.00 C ATOM 1372 CG MET A 87 -8.254 14.072 1.217 1.00 0.00 C ATOM 1373 SD MET A 87 -8.137 13.889 3.007 1.00 0.00 S ATOM 1374 CE MET A 87 -6.678 12.859 3.148 1.00 0.00 C ATOM 0 H MET A 87 -6.696 17.680 0.999 1.00 0.00 H new ATOM 0 HA MET A 87 -5.938 15.275 1.832 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.286 16.209 1.308 1.00 0.00 H new ATOM 0 HB3 MET A 87 -8.072 15.563 -0.307 1.00 0.00 H new ATOM 0 HG2 MET A 87 -9.288 13.922 0.907 1.00 0.00 H new ATOM 0 HG3 MET A 87 -7.661 13.294 0.737 1.00 0.00 H new ATOM 0 HE1 MET A 87 -6.653 12.397 4.135 1.00 0.00 H new ATOM 0 HE2 MET A 87 -6.706 12.082 2.384 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.786 13.471 3.010 1.00 0.00 H new ATOM 1384 N SER A 88 -5.012 13.674 0.168 1.00 0.00 N ATOM 1385 CA SER A 88 -4.295 12.812 -0.764 1.00 0.00 C ATOM 1386 C SER A 88 -4.823 11.382 -0.698 1.00 0.00 C ATOM 1387 O SER A 88 -4.577 10.662 0.269 1.00 0.00 O ATOM 1388 CB SER A 88 -2.796 12.828 -0.457 1.00 0.00 C ATOM 1389 OG SER A 88 -2.282 14.148 -0.495 1.00 0.00 O ATOM 0 H SER A 88 -5.060 13.316 1.122 1.00 0.00 H new ATOM 0 HA SER A 88 -4.457 13.195 -1.772 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.618 12.393 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.267 12.207 -1.180 1.00 0.00 H new ATOM 0 HG SER A 88 -1.323 14.132 -0.294 1.00 0.00 H new ATOM 1395 N GLU A 89 -5.552 10.979 -1.734 1.00 0.00 N ATOM 1396 CA GLU A 89 -6.116 9.635 -1.794 1.00 0.00 C ATOM 1397 C GLU A 89 -5.482 8.828 -2.923 1.00 0.00 C ATOM 1398 O GLU A 89 -5.613 9.174 -4.097 1.00 0.00 O ATOM 1399 CB GLU A 89 -7.632 9.703 -1.991 1.00 0.00 C ATOM 1400 CG GLU A 89 -8.048 9.992 -3.424 1.00 0.00 C ATOM 1401 CD GLU A 89 -9.373 10.723 -3.511 1.00 0.00 C ATOM 1402 OE1 GLU A 89 -9.497 11.803 -2.896 1.00 0.00 O ATOM 1403 OE2 GLU A 89 -10.287 10.214 -4.194 1.00 0.00 O ATOM 0 H GLU A 89 -5.766 11.563 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.901 9.136 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.073 8.757 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.040 10.476 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.276 10.589 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.118 9.054 -3.974 1.00 0.00 H new ATOM 1410 N ILE A 90 -4.793 7.752 -2.558 1.00 0.00 N ATOM 1411 CA ILE A 90 -4.139 6.895 -3.539 1.00 0.00 C ATOM 1412 C ILE A 90 -4.799 5.522 -3.597 1.00 0.00 C ATOM 1413 O ILE A 90 -5.148 4.945 -2.566 1.00 0.00 O ATOM 1414 CB ILE A 90 -2.642 6.720 -3.223 1.00 0.00 C ATOM 1415 CG1 ILE A 90 -1.891 8.031 -3.462 1.00 0.00 C ATOM 1416 CG2 ILE A 90 -2.049 5.603 -4.069 1.00 0.00 C ATOM 1417 CD1 ILE A 90 -0.476 8.024 -2.925 1.00 0.00 C ATOM 0 H ILE A 90 -4.673 7.453 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.243 7.386 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.537 6.449 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.864 8.235 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.444 8.847 -2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.990 5.492 -3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.569 4.669 -3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.163 5.847 -5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.004 8.985 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.496 7.852 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.093 7.230 -3.409 1.00 0.00 H new ATOM 1429 N TYR A 91 -4.966 5.003 -4.808 1.00 0.00 N ATOM 1430 CA TYR A 91 -5.585 3.697 -5.001 1.00 0.00 C ATOM 1431 C TYR A 91 -4.531 2.633 -5.296 1.00 0.00 C ATOM 1432 O TYR A 91 -3.805 2.719 -6.286 1.00 0.00 O ATOM 1433 CB TYR A 91 -6.601 3.754 -6.143 1.00 0.00 C ATOM 1434 CG TYR A 91 -7.732 4.727 -5.898 1.00 0.00 C ATOM 1435 CD1 TYR A 91 -8.328 4.829 -4.647 1.00 0.00 C ATOM 1436 CD2 TYR A 91 -8.207 5.542 -6.918 1.00 0.00 C ATOM 1437 CE1 TYR A 91 -9.362 5.716 -4.418 1.00 0.00 C ATOM 1438 CE2 TYR A 91 -9.240 6.433 -6.698 1.00 0.00 C ATOM 1439 CZ TYR A 91 -9.814 6.516 -5.447 1.00 0.00 C ATOM 1440 OH TYR A 91 -10.845 7.400 -5.224 1.00 0.00 O ATOM 0 H TYR A 91 -4.681 5.467 -5.671 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.100 3.428 -4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.086 4.032 -7.063 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.016 2.758 -6.299 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.977 4.204 -3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.761 5.478 -7.900 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.814 5.783 -3.439 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.596 7.061 -7.501 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.482 8.249 -4.896 1.00 0.00 H new ATOM 1450 N LEU A 92 -4.455 1.629 -4.429 1.00 0.00 N ATOM 1451 CA LEU A 92 -3.491 0.547 -4.594 1.00 0.00 C ATOM 1452 C LEU A 92 -4.200 -0.798 -4.722 1.00 0.00 C ATOM 1453 O LEU A 92 -4.838 -1.267 -3.779 1.00 0.00 O ATOM 1454 CB LEU A 92 -2.522 0.515 -3.412 1.00 0.00 C ATOM 1455 CG LEU A 92 -1.898 1.854 -3.019 1.00 0.00 C ATOM 1456 CD1 LEU A 92 -0.851 1.658 -1.934 1.00 0.00 C ATOM 1457 CD2 LEU A 92 -1.286 2.535 -4.235 1.00 0.00 C ATOM 0 H LEU A 92 -5.049 1.542 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.930 0.730 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.050 0.115 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.718 -0.183 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.685 2.497 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.418 2.622 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.317 1.214 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.066 0.997 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.847 3.487 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.512 1.895 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.060 2.711 -4.981 1.00 0.00 H new ATOM 1469 N ARG A 93 -4.082 -1.414 -5.894 1.00 0.00 N ATOM 1470 CA ARG A 93 -4.711 -2.706 -6.144 1.00 0.00 C ATOM 1471 C ARG A 93 -3.665 -3.815 -6.214 1.00 0.00 C ATOM 1472 O ARG A 93 -2.706 -3.730 -6.982 1.00 0.00 O ATOM 1473 CB ARG A 93 -5.512 -2.663 -7.447 1.00 0.00 C ATOM 1474 CG ARG A 93 -6.035 -4.021 -7.885 1.00 0.00 C ATOM 1475 CD ARG A 93 -7.417 -4.296 -7.316 1.00 0.00 C ATOM 1476 NE ARG A 93 -8.141 -5.297 -8.095 1.00 0.00 N ATOM 1477 CZ ARG A 93 -7.937 -6.605 -7.982 1.00 0.00 C ATOM 1478 NH1 ARG A 93 -7.036 -7.067 -7.126 1.00 0.00 N ATOM 1479 NH2 ARG A 93 -8.635 -7.453 -8.726 1.00 0.00 N ATOM 0 H ARG A 93 -3.557 -1.040 -6.685 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.387 -2.919 -5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.354 -1.981 -7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.883 -2.253 -8.237 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.074 -4.063 -8.973 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -5.345 -4.800 -7.560 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.323 -4.637 -6.285 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.991 -3.369 -7.294 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.842 -4.974 -8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.498 -6.418 -6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.881 -8.072 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.329 -7.101 -9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.478 -8.457 -8.639 1.00 0.00 H new ATOM 1493 N CYS A 94 -3.857 -4.853 -5.408 1.00 0.00 N ATOM 1494 CA CYS A 94 -2.930 -5.978 -5.377 1.00 0.00 C ATOM 1495 C CYS A 94 -3.393 -7.090 -6.313 1.00 0.00 C ATOM 1496 O CYS A 94 -4.557 -7.137 -6.707 1.00 0.00 O ATOM 1497 CB CYS A 94 -2.796 -6.517 -3.952 1.00 0.00 C ATOM 1498 SG CYS A 94 -2.159 -5.312 -2.763 1.00 0.00 S ATOM 0 H CYS A 94 -4.646 -4.939 -4.767 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.957 -5.624 -5.716 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.772 -6.864 -3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.135 -7.384 -3.964 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.113 -5.802 -2.166 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.472 -7.982 -6.665 1.00 0.00 N ATOM 1505 CA GLN A 95 -2.786 -9.092 -7.557 1.00 0.00 C ATOM 1506 C GLN A 95 -3.450 -10.232 -6.793 1.00 0.00 C ATOM 1507 O GLN A 95 -4.509 -10.722 -7.187 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.517 -9.595 -8.246 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.775 -8.515 -9.018 1.00 0.00 C ATOM 1510 CD GLN A 95 0.609 -8.955 -9.453 1.00 0.00 C ATOM 1511 OE1 GLN A 95 1.503 -9.140 -8.626 1.00 0.00 O ATOM 1512 NE2 GLN A 95 0.794 -9.126 -10.757 1.00 0.00 N ATOM 0 H GLN A 95 -1.503 -7.958 -6.346 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.483 -8.731 -8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.849 -10.017 -7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.780 -10.403 -8.929 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.357 -8.237 -9.897 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.690 -7.623 -8.397 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.025 -8.961 -11.407 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.705 -9.422 -11.108 1.00 0.00 H new ATOM 1521 N ASP A 96 -2.822 -10.651 -5.700 1.00 0.00 N ATOM 1522 CA ASP A 96 -3.352 -11.734 -4.880 1.00 0.00 C ATOM 1523 C ASP A 96 -3.426 -11.320 -3.414 1.00 0.00 C ATOM 1524 O ASP A 96 -3.018 -10.217 -3.050 1.00 0.00 O ATOM 1525 CB ASP A 96 -2.484 -12.985 -5.027 1.00 0.00 C ATOM 1526 CG ASP A 96 -1.023 -12.652 -5.254 1.00 0.00 C ATOM 1527 OD1 ASP A 96 -0.336 -12.294 -4.273 1.00 0.00 O ATOM 1528 OD2 ASP A 96 -0.565 -12.751 -6.411 1.00 0.00 O ATOM 0 H ASP A 96 -1.944 -10.257 -5.361 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.361 -11.959 -5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -2.579 -13.597 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.851 -13.583 -5.861 1.00 0.00 H new ATOM 1533 N GLU A 97 -3.950 -12.211 -2.578 1.00 0.00 N ATOM 1534 CA GLU A 97 -4.079 -11.936 -1.152 1.00 0.00 C ATOM 1535 C GLU A 97 -2.715 -11.961 -0.468 1.00 0.00 C ATOM 1536 O GLU A 97 -2.477 -11.226 0.490 1.00 0.00 O ATOM 1537 CB GLU A 97 -5.010 -12.957 -0.495 1.00 0.00 C ATOM 1538 CG GLU A 97 -4.625 -14.400 -0.775 1.00 0.00 C ATOM 1539 CD GLU A 97 -5.493 -15.391 -0.024 1.00 0.00 C ATOM 1540 OE1 GLU A 97 -5.882 -15.090 1.124 1.00 0.00 O ATOM 1541 OE2 GLU A 97 -5.784 -16.468 -0.586 1.00 0.00 O ATOM 0 H GLU A 97 -4.292 -13.129 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.506 -10.940 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.013 -12.793 0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.028 -12.787 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.703 -14.592 -1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.582 -14.554 -0.499 1.00 0.00 H new ATOM 1548 N GLN A 98 -1.825 -12.812 -0.967 1.00 0.00 N ATOM 1549 CA GLN A 98 -0.486 -12.934 -0.403 1.00 0.00 C ATOM 1550 C GLN A 98 0.183 -11.568 -0.289 1.00 0.00 C ATOM 1551 O GLN A 98 0.706 -11.210 0.766 1.00 0.00 O ATOM 1552 CB GLN A 98 0.371 -13.863 -1.265 1.00 0.00 C ATOM 1553 CG GLN A 98 0.291 -15.323 -0.849 1.00 0.00 C ATOM 1554 CD GLN A 98 1.197 -15.646 0.323 1.00 0.00 C ATOM 1555 OE1 GLN A 98 2.418 -15.514 0.234 1.00 0.00 O ATOM 1556 NE2 GLN A 98 0.602 -16.072 1.432 1.00 0.00 N ATOM 0 H GLN A 98 -2.007 -13.427 -1.760 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.578 -13.359 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.057 -13.772 -2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.410 -13.536 -1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.738 -15.566 -0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.560 -15.954 -1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.413 -16.167 1.462 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.160 -16.304 2.253 1.00 0.00 H new ATOM 1565 N GLN A 99 0.162 -10.811 -1.381 1.00 0.00 N ATOM 1566 CA GLN A 99 0.768 -9.485 -1.402 1.00 0.00 C ATOM 1567 C GLN A 99 -0.062 -8.494 -0.592 1.00 0.00 C ATOM 1568 O GLN A 99 0.472 -7.745 0.227 1.00 0.00 O ATOM 1569 CB GLN A 99 0.912 -8.990 -2.842 1.00 0.00 C ATOM 1570 CG GLN A 99 1.522 -7.601 -2.950 1.00 0.00 C ATOM 1571 CD GLN A 99 3.023 -7.605 -2.737 1.00 0.00 C ATOM 1572 OE1 GLN A 99 3.540 -8.336 -1.892 1.00 0.00 O ATOM 1573 NE2 GLN A 99 3.732 -6.785 -3.504 1.00 0.00 N ATOM 0 H GLN A 99 -0.268 -11.093 -2.262 1.00 0.00 H new ATOM 0 HA GLN A 99 1.757 -9.558 -0.949 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.530 -9.694 -3.399 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.070 -8.984 -3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.299 -7.186 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.056 -6.945 -2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.262 -6.196 -4.192 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.746 -6.744 -3.405 1.00 0.00 H new ATOM 1582 N TYR A 100 -1.369 -8.495 -0.826 1.00 0.00 N ATOM 1583 CA TYR A 100 -2.273 -7.594 -0.121 1.00 0.00 C ATOM 1584 C TYR A 100 -1.995 -7.609 1.380 1.00 0.00 C ATOM 1585 O TYR A 100 -1.596 -6.598 1.958 1.00 0.00 O ATOM 1586 CB TYR A 100 -3.728 -7.987 -0.385 1.00 0.00 C ATOM 1587 CG TYR A 100 -4.696 -7.449 0.644 1.00 0.00 C ATOM 1588 CD1 TYR A 100 -5.074 -6.112 0.639 1.00 0.00 C ATOM 1589 CD2 TYR A 100 -5.235 -8.278 1.620 1.00 0.00 C ATOM 1590 CE1 TYR A 100 -5.958 -5.616 1.577 1.00 0.00 C ATOM 1591 CE2 TYR A 100 -6.121 -7.791 2.562 1.00 0.00 C ATOM 1592 CZ TYR A 100 -6.479 -6.459 2.536 1.00 0.00 C ATOM 1593 OH TYR A 100 -7.361 -5.970 3.472 1.00 0.00 O ATOM 0 H TYR A 100 -1.827 -9.110 -1.499 1.00 0.00 H new ATOM 0 HA TYR A 100 -2.103 -6.584 -0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -4.020 -7.625 -1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.803 -9.074 -0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.669 -5.449 -0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -4.957 -9.321 1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -6.240 -4.574 1.560 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -6.531 -8.449 3.314 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.634 -6.694 4.074 1.00 0.00 H new ATOM 1603 N ALA A 101 -2.208 -8.763 2.003 1.00 0.00 N ATOM 1604 CA ALA A 101 -1.979 -8.911 3.435 1.00 0.00 C ATOM 1605 C ALA A 101 -0.679 -8.233 3.856 1.00 0.00 C ATOM 1606 O ALA A 101 -0.668 -7.404 4.765 1.00 0.00 O ATOM 1607 CB ALA A 101 -1.954 -10.384 3.815 1.00 0.00 C ATOM 0 H ALA A 101 -2.539 -9.609 1.539 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.800 -8.424 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.782 -10.480 4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.909 -10.842 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.153 -10.886 3.273 1.00 0.00 H new ATOM 1613 N ARG A 102 0.413 -8.591 3.189 1.00 0.00 N ATOM 1614 CA ARG A 102 1.718 -8.018 3.495 1.00 0.00 C ATOM 1615 C ARG A 102 1.641 -6.495 3.561 1.00 0.00 C ATOM 1616 O ARG A 102 1.811 -5.901 4.625 1.00 0.00 O ATOM 1617 CB ARG A 102 2.745 -8.443 2.444 1.00 0.00 C ATOM 1618 CG ARG A 102 3.254 -9.863 2.629 1.00 0.00 C ATOM 1619 CD ARG A 102 4.015 -10.346 1.405 1.00 0.00 C ATOM 1620 NE ARG A 102 4.770 -11.567 1.676 1.00 0.00 N ATOM 1621 CZ ARG A 102 5.680 -12.067 0.847 1.00 0.00 C ATOM 1622 NH1 ARG A 102 5.946 -11.455 -0.298 1.00 0.00 N ATOM 1623 NH2 ARG A 102 6.325 -13.182 1.164 1.00 0.00 N ATOM 0 H ARG A 102 0.420 -9.276 2.433 1.00 0.00 H new ATOM 0 HA ARG A 102 2.031 -8.391 4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.298 -8.352 1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.591 -7.756 2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.904 -9.907 3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.414 -10.530 2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.314 -10.527 0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.697 -9.565 1.071 1.00 0.00 H new ATOM 0 HE ARG A 102 4.589 -12.062 2.549 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.452 -10.598 -0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.645 -11.841 -0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 102 6.122 -13.656 2.044 1.00 0.00 H new ATOM 0 HH22 ARG A 102 7.024 -13.566 0.527 1.00 0.00 H new ATOM 1637 N TRP A 103 1.385 -5.872 2.416 1.00 0.00 N ATOM 1638 CA TRP A 103 1.287 -4.418 2.344 1.00 0.00 C ATOM 1639 C TRP A 103 0.227 -3.896 3.307 1.00 0.00 C ATOM 1640 O TRP A 103 0.536 -3.161 4.245 1.00 0.00 O ATOM 1641 CB TRP A 103 0.956 -3.980 0.916 1.00 0.00 C ATOM 1642 CG TRP A 103 2.151 -3.950 0.012 1.00 0.00 C ATOM 1643 CD1 TRP A 103 2.682 -5.002 -0.679 1.00 0.00 C ATOM 1644 CD2 TRP A 103 2.965 -2.813 -0.296 1.00 0.00 C ATOM 1645 NE1 TRP A 103 3.777 -4.587 -1.399 1.00 0.00 N ATOM 1646 CE2 TRP A 103 3.970 -3.248 -1.182 1.00 0.00 C ATOM 1647 CE3 TRP A 103 2.940 -1.470 0.087 1.00 0.00 C ATOM 1648 CZ2 TRP A 103 4.941 -2.387 -1.687 1.00 0.00 C ATOM 1649 CZ3 TRP A 103 3.904 -0.616 -0.414 1.00 0.00 C ATOM 1650 CH2 TRP A 103 4.893 -1.077 -1.294 1.00 0.00 C ATOM 0 H TRP A 103 1.242 -6.350 1.526 1.00 0.00 H new ATOM 0 HA TRP A 103 2.251 -3.998 2.632 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.211 -4.658 0.499 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.505 -2.988 0.943 1.00 0.00 H new ATOM 0 HD1 TRP A 103 2.298 -6.011 -0.662 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.352 -5.180 -1.998 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.181 -1.105 0.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 5.704 -2.740 -2.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.895 0.424 -0.123 1.00 0.00 H new ATOM 0 HH2 TRP A 103 5.632 -0.384 -1.669 1.00 0.00 H new ATOM 1661 N MET A 104 -1.023 -4.279 3.070 1.00 0.00 N ATOM 1662 CA MET A 104 -2.128 -3.849 3.920 1.00 0.00 C ATOM 1663 C MET A 104 -1.715 -3.846 5.388 1.00 0.00 C ATOM 1664 O MET A 104 -1.607 -2.789 6.009 1.00 0.00 O ATOM 1665 CB MET A 104 -3.338 -4.764 3.720 1.00 0.00 C ATOM 1666 CG MET A 104 -4.462 -4.509 4.711 1.00 0.00 C ATOM 1667 SD MET A 104 -4.799 -2.753 4.943 1.00 0.00 S ATOM 1668 CE MET A 104 -6.263 -2.552 3.931 1.00 0.00 C ATOM 0 H MET A 104 -1.296 -4.886 2.297 1.00 0.00 H new ATOM 0 HA MET A 104 -2.399 -2.832 3.635 1.00 0.00 H new ATOM 0 HB2 MET A 104 -3.720 -4.632 2.708 1.00 0.00 H new ATOM 0 HB3 MET A 104 -3.017 -5.802 3.806 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.368 -5.006 4.363 1.00 0.00 H new ATOM 0 HG3 MET A 104 -4.203 -4.955 5.671 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.532 -1.497 3.886 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.063 -2.919 2.924 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.087 -3.118 4.366 1.00 0.00 H new ATOM 1678 N ALA A 105 -1.487 -5.035 5.937 1.00 0.00 N ATOM 1679 CA ALA A 105 -1.085 -5.168 7.331 1.00 0.00 C ATOM 1680 C ALA A 105 -0.105 -4.068 7.728 1.00 0.00 C ATOM 1681 O ALA A 105 -0.164 -3.542 8.838 1.00 0.00 O ATOM 1682 CB ALA A 105 -0.469 -6.538 7.575 1.00 0.00 C ATOM 0 H ALA A 105 -1.574 -5.920 5.437 1.00 0.00 H new ATOM 0 HA ALA A 105 -1.976 -5.066 7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.173 -6.623 8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.199 -7.312 7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.408 -6.661 6.939 1.00 0.00 H new ATOM 1688 N GLY A 106 0.796 -3.726 6.812 1.00 0.00 N ATOM 1689 CA GLY A 106 1.776 -2.691 7.085 1.00 0.00 C ATOM 1690 C GLY A 106 1.139 -1.334 7.309 1.00 0.00 C ATOM 1691 O GLY A 106 1.340 -0.711 8.352 1.00 0.00 O ATOM 0 H GLY A 106 0.865 -4.147 5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.355 -2.967 7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.475 -2.628 6.251 1.00 0.00 H new ATOM 1695 N CYS A 107 0.371 -0.874 6.328 1.00 0.00 N ATOM 1696 CA CYS A 107 -0.296 0.420 6.421 1.00 0.00 C ATOM 1697 C CYS A 107 -1.144 0.505 7.686 1.00 0.00 C ATOM 1698 O CYS A 107 -1.237 1.560 8.313 1.00 0.00 O ATOM 1699 CB CYS A 107 -1.172 0.656 5.189 1.00 0.00 C ATOM 1700 SG CYS A 107 -0.245 0.817 3.645 1.00 0.00 S ATOM 0 H CYS A 107 0.195 -1.378 5.459 1.00 0.00 H new ATOM 0 HA CYS A 107 0.471 1.193 6.466 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.876 -0.171 5.093 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -1.761 1.560 5.343 1.00 0.00 H new ATOM 0 HG CYS A 107 -1.035 0.588 2.638 1.00 0.00 H new ATOM 1706 N ARG A 108 -1.760 -0.613 8.055 1.00 0.00 N ATOM 1707 CA ARG A 108 -2.603 -0.664 9.244 1.00 0.00 C ATOM 1708 C ARG A 108 -1.782 -0.403 10.504 1.00 0.00 C ATOM 1709 O ARG A 108 -2.246 0.257 11.435 1.00 0.00 O ATOM 1710 CB ARG A 108 -3.295 -2.025 9.347 1.00 0.00 C ATOM 1711 CG ARG A 108 -4.502 -2.164 8.434 1.00 0.00 C ATOM 1712 CD ARG A 108 -4.796 -3.622 8.118 1.00 0.00 C ATOM 1713 NE ARG A 108 -5.190 -4.371 9.308 1.00 0.00 N ATOM 1714 CZ ARG A 108 -6.372 -4.241 9.900 1.00 0.00 C ATOM 1715 NH1 ARG A 108 -7.271 -3.396 9.415 1.00 0.00 N ATOM 1716 NH2 ARG A 108 -6.657 -4.958 10.979 1.00 0.00 N ATOM 0 H ARG A 108 -1.691 -1.496 7.548 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.360 0.115 9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.576 -2.808 9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.609 -2.186 10.378 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.372 -1.711 8.908 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.323 -1.618 7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.591 -3.679 7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -3.912 -4.082 7.676 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.521 -5.030 9.706 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.056 -2.843 8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.178 -3.298 9.872 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.968 -5.610 11.355 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.565 -4.858 11.433 1.00 0.00 H new ATOM 1730 N LEU A 109 -0.560 -0.925 10.526 1.00 0.00 N ATOM 1731 CA LEU A 109 0.326 -0.749 11.672 1.00 0.00 C ATOM 1732 C LEU A 109 0.715 0.716 11.839 1.00 0.00 C ATOM 1733 O LEU A 109 0.627 1.271 12.933 1.00 0.00 O ATOM 1734 CB LEU A 109 1.581 -1.607 11.506 1.00 0.00 C ATOM 1735 CG LEU A 109 1.373 -3.120 11.569 1.00 0.00 C ATOM 1736 CD1 LEU A 109 2.560 -3.848 10.958 1.00 0.00 C ATOM 1737 CD2 LEU A 109 1.152 -3.570 13.006 1.00 0.00 C ATOM 0 H LEU A 109 -0.161 -1.473 9.764 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.209 -1.067 12.567 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.039 -1.363 10.548 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.294 -1.326 12.281 1.00 0.00 H new ATOM 0 HG LEU A 109 0.483 -3.369 10.991 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.394 -4.924 11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.672 -3.550 9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.466 -3.593 11.508 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.006 -4.650 13.031 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.022 -3.308 13.607 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.269 -3.075 13.411 1.00 0.00 H new ATOM 1749 N ALA A 110 1.145 1.337 10.745 1.00 0.00 N ATOM 1750 CA ALA A 110 1.543 2.739 10.769 1.00 0.00 C ATOM 1751 C ALA A 110 0.342 3.648 11.004 1.00 0.00 C ATOM 1752 O ALA A 110 0.440 4.655 11.705 1.00 0.00 O ATOM 1753 CB ALA A 110 2.244 3.111 9.470 1.00 0.00 C ATOM 0 H ALA A 110 1.226 0.891 9.831 1.00 0.00 H new ATOM 0 HA ALA A 110 2.238 2.879 11.597 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.536 4.161 9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.132 2.491 9.345 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.567 2.948 8.632 1.00 0.00 H new ATOM 1759 N SER A 111 -0.792 3.286 10.411 1.00 0.00 N ATOM 1760 CA SER A 111 -2.012 4.072 10.552 1.00 0.00 C ATOM 1761 C SER A 111 -2.259 4.435 12.014 1.00 0.00 C ATOM 1762 O SER A 111 -2.888 5.449 12.317 1.00 0.00 O ATOM 1763 CB SER A 111 -3.210 3.298 9.998 1.00 0.00 C ATOM 1764 OG SER A 111 -4.417 3.719 10.609 1.00 0.00 O ATOM 0 H SER A 111 -0.891 2.454 9.829 1.00 0.00 H new ATOM 0 HA SER A 111 -1.889 4.993 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.274 3.445 8.920 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.067 2.231 10.167 1.00 0.00 H new ATOM 0 HG SER A 111 -4.643 4.621 10.300 1.00 0.00 H new ATOM 1770 N LYS A 112 -1.759 3.599 12.917 1.00 0.00 N ATOM 1771 CA LYS A 112 -1.922 3.829 14.347 1.00 0.00 C ATOM 1772 C LYS A 112 -0.590 4.193 14.995 1.00 0.00 C ATOM 1773 O LYS A 112 -0.551 4.688 16.121 1.00 0.00 O ATOM 1774 CB LYS A 112 -2.508 2.586 15.022 1.00 0.00 C ATOM 1775 CG LYS A 112 -3.931 2.274 14.591 1.00 0.00 C ATOM 1776 CD LYS A 112 -4.860 3.449 14.845 1.00 0.00 C ATOM 1777 CE LYS A 112 -6.311 3.002 14.936 1.00 0.00 C ATOM 1778 NZ LYS A 112 -7.175 4.044 15.556 1.00 0.00 N ATOM 0 H LYS A 112 -1.237 2.755 12.683 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.610 4.664 14.479 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.873 1.728 14.799 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.487 2.726 16.103 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.944 2.021 13.531 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.293 1.399 15.132 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.573 3.948 15.771 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.753 4.179 14.043 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.682 2.769 13.938 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.372 2.084 15.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.156 3.701 15.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.836 4.248 16.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.137 4.912 14.984 1.00 0.00 H new ATOM 1792 N GLY A 113 0.500 3.944 14.276 1.00 0.00 N ATOM 1793 CA GLY A 113 1.819 4.252 14.798 1.00 0.00 C ATOM 1794 C GLY A 113 2.729 3.040 14.827 1.00 0.00 C ATOM 1795 O GLY A 113 3.948 3.168 14.712 1.00 0.00 O ATOM 0 H GLY A 113 0.494 3.535 13.342 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.275 5.031 14.187 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.722 4.654 15.807 1.00 0.00 H new ATOM 1799 N ARG A 114 2.136 1.861 14.984 1.00 0.00 N ATOM 1800 CA ARG A 114 2.902 0.622 15.031 1.00 0.00 C ATOM 1801 C ARG A 114 3.782 0.478 13.793 1.00 0.00 C ATOM 1802 O ARG A 114 3.568 1.152 12.784 1.00 0.00 O ATOM 1803 CB ARG A 114 1.962 -0.580 15.144 1.00 0.00 C ATOM 1804 CG ARG A 114 1.297 -0.708 16.504 1.00 0.00 C ATOM 1805 CD ARG A 114 0.142 -1.697 16.469 1.00 0.00 C ATOM 1806 NE ARG A 114 -0.532 -1.797 17.761 1.00 0.00 N ATOM 1807 CZ ARG A 114 -1.339 -0.859 18.244 1.00 0.00 C ATOM 1808 NH1 ARG A 114 -1.571 0.243 17.545 1.00 0.00 N ATOM 1809 NH2 ARG A 114 -1.916 -1.023 19.427 1.00 0.00 N ATOM 0 H ARG A 114 1.128 1.738 15.081 1.00 0.00 H new ATOM 0 HA ARG A 114 3.545 0.656 15.910 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.191 -0.500 14.378 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.524 -1.491 14.937 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.032 -1.032 17.241 1.00 0.00 H new ATOM 0 HG3 ARG A 114 0.932 0.268 16.825 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -0.576 -1.389 15.709 1.00 0.00 H new ATOM 0 HD3 ARG A 114 0.514 -2.679 16.177 1.00 0.00 H new ATOM 0 HE ARG A 114 -0.374 -2.633 18.323 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -1.130 0.372 16.635 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -2.191 0.962 17.918 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.740 -1.870 19.967 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.535 -0.302 19.797 1.00 0.00 H new ATOM 1823 N THR A 115 4.774 -0.403 13.877 1.00 0.00 N ATOM 1824 CA THR A 115 5.687 -0.634 12.765 1.00 0.00 C ATOM 1825 C THR A 115 5.779 -2.117 12.427 1.00 0.00 C ATOM 1826 O THR A 115 5.615 -2.973 13.296 1.00 0.00 O ATOM 1827 CB THR A 115 7.099 -0.102 13.078 1.00 0.00 C ATOM 1828 OG1 THR A 115 7.609 -0.733 14.257 1.00 0.00 O ATOM 1829 CG2 THR A 115 7.078 1.406 13.272 1.00 0.00 C ATOM 0 H THR A 115 4.965 -0.968 14.704 1.00 0.00 H new ATOM 0 HA THR A 115 5.284 -0.094 11.908 1.00 0.00 H new ATOM 0 HB THR A 115 7.747 -0.334 12.233 1.00 0.00 H new ATOM 0 HG1 THR A 115 8.507 -0.391 14.449 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.086 1.759 13.492 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.716 1.885 12.362 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.417 1.657 14.101 1.00 0.00 H new ATOM 1837 N MET A 116 6.042 -2.416 11.159 1.00 0.00 N ATOM 1838 CA MET A 116 6.157 -3.797 10.707 1.00 0.00 C ATOM 1839 C MET A 116 7.027 -4.610 11.660 1.00 0.00 C ATOM 1840 O MET A 116 6.704 -5.750 11.991 1.00 0.00 O ATOM 1841 CB MET A 116 6.742 -3.848 9.294 1.00 0.00 C ATOM 1842 CG MET A 116 6.279 -5.049 8.487 1.00 0.00 C ATOM 1843 SD MET A 116 7.473 -5.544 7.230 1.00 0.00 S ATOM 1844 CE MET A 116 7.837 -3.965 6.468 1.00 0.00 C ATOM 0 H MET A 116 6.179 -1.720 10.426 1.00 0.00 H new ATOM 0 HA MET A 116 5.158 -4.233 10.694 1.00 0.00 H new ATOM 0 HB2 MET A 116 6.468 -2.936 8.763 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.830 -3.863 9.360 1.00 0.00 H new ATOM 0 HG2 MET A 116 6.098 -5.887 9.161 1.00 0.00 H new ATOM 0 HG3 MET A 116 5.329 -4.815 8.007 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.652 -4.085 5.754 1.00 0.00 H new ATOM 0 HE2 MET A 116 6.951 -3.599 5.949 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.130 -3.249 7.236 1.00 0.00 H new ATOM 1854 N ALA A 117 8.133 -4.016 12.097 1.00 0.00 N ATOM 1855 CA ALA A 117 9.048 -4.684 13.013 1.00 0.00 C ATOM 1856 C ALA A 117 8.287 -5.448 14.091 1.00 0.00 C ATOM 1857 O ALA A 117 8.674 -6.552 14.474 1.00 0.00 O ATOM 1858 CB ALA A 117 9.992 -3.673 13.648 1.00 0.00 C ATOM 0 H ALA A 117 8.416 -3.073 11.831 1.00 0.00 H new ATOM 0 HA ALA A 117 9.634 -5.403 12.440 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.670 -4.186 14.330 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.569 -3.175 12.869 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.414 -2.932 14.200 1.00 0.00 H new ATOM 1864 N ASP A 118 7.203 -4.854 14.577 1.00 0.00 N ATOM 1865 CA ASP A 118 6.386 -5.479 15.610 1.00 0.00 C ATOM 1866 C ASP A 118 5.909 -6.858 15.166 1.00 0.00 C ATOM 1867 O ASP A 118 5.554 -7.059 14.005 1.00 0.00 O ATOM 1868 CB ASP A 118 5.184 -4.594 15.946 1.00 0.00 C ATOM 1869 CG ASP A 118 4.552 -4.955 17.275 1.00 0.00 C ATOM 1870 OD1 ASP A 118 5.094 -4.542 18.322 1.00 0.00 O ATOM 1871 OD2 ASP A 118 3.515 -5.650 17.269 1.00 0.00 O ATOM 0 H ASP A 118 6.869 -3.940 14.272 1.00 0.00 H new ATOM 0 HA ASP A 118 7.001 -5.597 16.502 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.500 -3.551 15.969 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.438 -4.684 15.156 1.00 0.00 H new ATOM 1876 N SER A 119 5.905 -7.806 16.098 1.00 0.00 N ATOM 1877 CA SER A 119 5.477 -9.168 15.802 1.00 0.00 C ATOM 1878 C SER A 119 3.999 -9.203 15.425 1.00 0.00 C ATOM 1879 O SER A 119 3.522 -10.167 14.826 1.00 0.00 O ATOM 1880 CB SER A 119 5.730 -10.078 17.005 1.00 0.00 C ATOM 1881 OG SER A 119 5.119 -11.344 16.824 1.00 0.00 O ATOM 0 H SER A 119 6.193 -7.656 17.065 1.00 0.00 H new ATOM 0 HA SER A 119 6.059 -9.529 14.954 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.803 -10.206 17.149 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.341 -9.609 17.908 1.00 0.00 H new ATOM 0 HG SER A 119 5.297 -11.908 17.606 1.00 0.00 H new ATOM 1887 N SER A 120 3.279 -8.144 15.782 1.00 0.00 N ATOM 1888 CA SER A 120 1.854 -8.054 15.485 1.00 0.00 C ATOM 1889 C SER A 120 1.612 -8.040 13.979 1.00 0.00 C ATOM 1890 O SER A 120 0.552 -8.451 13.505 1.00 0.00 O ATOM 1891 CB SER A 120 1.258 -6.796 16.121 1.00 0.00 C ATOM 1892 OG SER A 120 -0.090 -6.614 15.725 1.00 0.00 O ATOM 0 H SER A 120 3.659 -7.337 16.277 1.00 0.00 H new ATOM 0 HA SER A 120 1.364 -8.932 15.905 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.314 -6.872 17.207 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.846 -5.925 15.832 1.00 0.00 H new ATOM 0 HG SER A 120 -0.448 -5.805 16.146 1.00 0.00 H new ATOM 1898 N TYR A 121 2.602 -7.564 13.232 1.00 0.00 N ATOM 1899 CA TYR A 121 2.497 -7.493 11.779 1.00 0.00 C ATOM 1900 C TYR A 121 2.026 -8.825 11.202 1.00 0.00 C ATOM 1901 O TYR A 121 0.968 -8.906 10.578 1.00 0.00 O ATOM 1902 CB TYR A 121 3.845 -7.108 11.168 1.00 0.00 C ATOM 1903 CG TYR A 121 3.972 -7.469 9.705 1.00 0.00 C ATOM 1904 CD1 TYR A 121 3.385 -6.682 8.721 1.00 0.00 C ATOM 1905 CD2 TYR A 121 4.679 -8.597 9.307 1.00 0.00 C ATOM 1906 CE1 TYR A 121 3.498 -7.009 7.384 1.00 0.00 C ATOM 1907 CE2 TYR A 121 4.799 -8.930 7.972 1.00 0.00 C ATOM 1908 CZ TYR A 121 4.206 -8.134 7.014 1.00 0.00 C ATOM 1909 OH TYR A 121 4.322 -8.462 5.683 1.00 0.00 O ATOM 0 H TYR A 121 3.486 -7.222 13.608 1.00 0.00 H new ATOM 0 HA TYR A 121 1.761 -6.729 11.530 1.00 0.00 H new ATOM 0 HB2 TYR A 121 3.993 -6.034 11.283 1.00 0.00 H new ATOM 0 HB3 TYR A 121 4.641 -7.601 11.726 1.00 0.00 H new ATOM 0 HD1 TYR A 121 2.831 -5.800 9.007 1.00 0.00 H new ATOM 0 HD2 TYR A 121 5.143 -9.224 10.054 1.00 0.00 H new ATOM 0 HE1 TYR A 121 3.035 -6.387 6.632 1.00 0.00 H new ATOM 0 HE2 TYR A 121 5.354 -9.809 7.680 1.00 0.00 H new ATOM 0 HH TYR A 121 4.852 -9.281 5.593 1.00 0.00 H new ATOM 1919 N THR A 122 2.821 -9.869 11.415 1.00 0.00 N ATOM 1920 CA THR A 122 2.488 -11.197 10.917 1.00 0.00 C ATOM 1921 C THR A 122 1.100 -11.627 11.380 1.00 0.00 C ATOM 1922 O THR A 122 0.383 -12.322 10.661 1.00 0.00 O ATOM 1923 CB THR A 122 3.518 -12.245 11.379 1.00 0.00 C ATOM 1924 OG1 THR A 122 3.488 -13.380 10.505 1.00 0.00 O ATOM 1925 CG2 THR A 122 3.234 -12.691 12.806 1.00 0.00 C ATOM 0 H THR A 122 3.700 -9.820 11.929 1.00 0.00 H new ATOM 0 HA THR A 122 2.503 -11.139 9.829 1.00 0.00 H new ATOM 0 HB THR A 122 4.507 -11.788 11.348 1.00 0.00 H new ATOM 0 HG1 THR A 122 4.147 -14.041 10.804 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.974 -13.431 13.110 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.286 -11.831 13.473 1.00 0.00 H new ATOM 0 HG23 THR A 122 2.238 -13.131 12.858 1.00 0.00 H new ATOM 1933 N SER A 123 0.728 -11.207 12.585 1.00 0.00 N ATOM 1934 CA SER A 123 -0.574 -11.551 13.146 1.00 0.00 C ATOM 1935 C SER A 123 -1.699 -11.119 12.211 1.00 0.00 C ATOM 1936 O SER A 123 -2.773 -11.720 12.196 1.00 0.00 O ATOM 1937 CB SER A 123 -0.752 -10.894 14.516 1.00 0.00 C ATOM 1938 OG SER A 123 -1.780 -11.530 15.256 1.00 0.00 O ATOM 0 H SER A 123 1.309 -10.628 13.191 1.00 0.00 H new ATOM 0 HA SER A 123 -0.618 -12.634 13.262 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.185 -10.944 15.071 1.00 0.00 H new ATOM 0 HB3 SER A 123 -0.991 -9.838 14.388 1.00 0.00 H new ATOM 0 HG SER A 123 -1.873 -11.093 16.128 1.00 0.00 H new ATOM 1944 N GLU A 124 -1.444 -10.072 11.433 1.00 0.00 N ATOM 1945 CA GLU A 124 -2.436 -9.558 10.495 1.00 0.00 C ATOM 1946 C GLU A 124 -2.410 -10.346 9.189 1.00 0.00 C ATOM 1947 O GLU A 124 -3.446 -10.562 8.560 1.00 0.00 O ATOM 1948 CB GLU A 124 -2.185 -8.075 10.214 1.00 0.00 C ATOM 1949 CG GLU A 124 -2.675 -7.155 11.319 1.00 0.00 C ATOM 1950 CD GLU A 124 -1.999 -5.798 11.291 1.00 0.00 C ATOM 1951 OE1 GLU A 124 -2.098 -5.108 10.255 1.00 0.00 O ATOM 1952 OE2 GLU A 124 -1.371 -5.426 12.305 1.00 0.00 O ATOM 0 H GLU A 124 -0.560 -9.563 11.433 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.420 -9.673 10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.116 -7.917 10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.677 -7.802 9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -3.753 -7.022 11.225 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -2.496 -7.626 12.285 1.00 0.00 H new ATOM 1959 N VAL A 125 -1.217 -10.773 8.786 1.00 0.00 N ATOM 1960 CA VAL A 125 -1.054 -11.538 7.555 1.00 0.00 C ATOM 1961 C VAL A 125 -1.758 -12.887 7.649 1.00 0.00 C ATOM 1962 O VAL A 125 -2.337 -13.365 6.674 1.00 0.00 O ATOM 1963 CB VAL A 125 0.433 -11.769 7.231 1.00 0.00 C ATOM 1964 CG1 VAL A 125 0.582 -12.552 5.936 1.00 0.00 C ATOM 1965 CG2 VAL A 125 1.173 -10.442 7.149 1.00 0.00 C ATOM 0 H VAL A 125 -0.349 -10.602 9.294 1.00 0.00 H new ATOM 0 HA VAL A 125 -1.505 -10.951 6.755 1.00 0.00 H new ATOM 0 HB VAL A 125 0.875 -12.356 8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.640 -12.706 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.088 -13.518 6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.125 -11.994 5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.223 -10.624 6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 125 0.731 -9.827 6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.096 -9.923 8.104 1.00 0.00 H new ATOM 1975 N GLN A 126 -1.704 -13.495 8.830 1.00 0.00 N ATOM 1976 CA GLN A 126 -2.337 -14.790 9.051 1.00 0.00 C ATOM 1977 C GLN A 126 -3.849 -14.642 9.179 1.00 0.00 C ATOM 1978 O GLN A 126 -4.610 -15.300 8.470 1.00 0.00 O ATOM 1979 CB GLN A 126 -1.768 -15.452 10.307 1.00 0.00 C ATOM 1980 CG GLN A 126 -0.256 -15.349 10.417 1.00 0.00 C ATOM 1981 CD GLN A 126 0.459 -16.491 9.721 1.00 0.00 C ATOM 1982 OE1 GLN A 126 -0.149 -17.510 9.391 1.00 0.00 O ATOM 1983 NE2 GLN A 126 1.756 -16.326 9.493 1.00 0.00 N ATOM 0 H GLN A 126 -1.229 -13.112 9.647 1.00 0.00 H new ATOM 0 HA GLN A 126 -2.125 -15.422 8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.220 -14.993 11.186 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -2.054 -16.504 10.314 1.00 0.00 H new ATOM 0 HG2 GLN A 126 0.072 -14.403 9.986 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.028 -15.335 11.469 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.219 -15.465 9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.289 -17.060 9.027 1.00 0.00 H new ATOM 1992 N ALA A 127 -4.279 -13.775 10.090 1.00 0.00 N ATOM 1993 CA ALA A 127 -5.700 -13.539 10.310 1.00 0.00 C ATOM 1994 C ALA A 127 -6.419 -13.252 8.997 1.00 0.00 C ATOM 1995 O ALA A 127 -7.482 -13.811 8.725 1.00 0.00 O ATOM 1996 CB ALA A 127 -5.900 -12.389 11.286 1.00 0.00 C ATOM 0 H ALA A 127 -3.663 -13.224 10.688 1.00 0.00 H new ATOM 0 HA ALA A 127 -6.130 -14.444 10.739 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.966 -12.224 11.441 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -5.429 -12.634 12.238 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -5.448 -11.484 10.880 1.00 0.00 H new ATOM 2002 N ILE A 128 -5.834 -12.377 8.186 1.00 0.00 N ATOM 2003 CA ILE A 128 -6.420 -12.016 6.901 1.00 0.00 C ATOM 2004 C ILE A 128 -6.580 -13.241 6.007 1.00 0.00 C ATOM 2005 O ILE A 128 -7.688 -13.578 5.589 1.00 0.00 O ATOM 2006 CB ILE A 128 -5.564 -10.967 6.167 1.00 0.00 C ATOM 2007 CG1 ILE A 128 -5.586 -9.638 6.925 1.00 0.00 C ATOM 2008 CG2 ILE A 128 -6.064 -10.779 4.742 1.00 0.00 C ATOM 2009 CD1 ILE A 128 -4.409 -8.742 6.608 1.00 0.00 C ATOM 0 H ILE A 128 -4.955 -11.905 8.396 1.00 0.00 H new ATOM 0 HA ILE A 128 -7.402 -11.590 7.110 1.00 0.00 H new ATOM 0 HB ILE A 128 -4.535 -11.323 6.126 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.509 -9.109 6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.600 -9.840 7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -5.449 -10.035 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -6.001 -11.726 4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.100 -10.441 4.762 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -4.490 -7.818 7.181 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -3.482 -9.252 6.871 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.405 -8.509 5.543 1.00 0.00 H new ATOM 2021 N LEU A 129 -5.466 -13.905 5.718 1.00 0.00 N ATOM 2022 CA LEU A 129 -5.482 -15.095 4.874 1.00 0.00 C ATOM 2023 C LEU A 129 -6.684 -15.976 5.198 1.00 0.00 C ATOM 2024 O LEU A 129 -7.376 -16.455 4.300 1.00 0.00 O ATOM 2025 CB LEU A 129 -4.188 -15.891 5.057 1.00 0.00 C ATOM 2026 CG LEU A 129 -2.928 -15.272 4.450 1.00 0.00 C ATOM 2027 CD1 LEU A 129 -1.682 -15.917 5.036 1.00 0.00 C ATOM 2028 CD2 LEU A 129 -2.942 -15.413 2.935 1.00 0.00 C ATOM 0 H LEU A 129 -4.541 -13.640 6.055 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.560 -14.773 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -4.021 -16.034 6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -4.329 -16.880 4.621 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.912 -14.210 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.795 -15.464 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -1.666 -15.764 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.690 -16.986 4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.038 -14.967 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.981 -16.469 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.817 -14.904 2.530 1.00 0.00 H new ATOM 2040 N ALA A 130 -6.928 -16.185 6.488 1.00 0.00 N ATOM 2041 CA ALA A 130 -8.049 -17.004 6.931 1.00 0.00 C ATOM 2042 C ALA A 130 -9.375 -16.280 6.722 1.00 0.00 C ATOM 2043 O ALA A 130 -10.265 -16.779 6.034 1.00 0.00 O ATOM 2044 CB ALA A 130 -7.879 -17.386 8.393 1.00 0.00 C ATOM 0 H ALA A 130 -6.364 -15.798 7.244 1.00 0.00 H new ATOM 0 HA ALA A 130 -8.062 -17.913 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -8.724 -17.998 8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.955 -17.951 8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -7.836 -16.483 9.002 1.00 0.00 H new ATOM 2050 N PHE A 131 -9.500 -15.100 7.321 1.00 0.00 N ATOM 2051 CA PHE A 131 -10.718 -14.308 7.202 1.00 0.00 C ATOM 2052 C PHE A 131 -11.265 -14.361 5.779 1.00 0.00 C ATOM 2053 O PHE A 131 -12.403 -14.775 5.554 1.00 0.00 O ATOM 2054 CB PHE A 131 -10.449 -12.856 7.603 1.00 0.00 C ATOM 2055 CG PHE A 131 -11.675 -11.989 7.577 1.00 0.00 C ATOM 2056 CD1 PHE A 131 -12.544 -11.963 8.655 1.00 0.00 C ATOM 2057 CD2 PHE A 131 -11.959 -11.201 6.473 1.00 0.00 C ATOM 2058 CE1 PHE A 131 -13.674 -11.166 8.634 1.00 0.00 C ATOM 2059 CE2 PHE A 131 -13.086 -10.402 6.447 1.00 0.00 C ATOM 2060 CZ PHE A 131 -13.945 -10.385 7.528 1.00 0.00 C ATOM 0 H PHE A 131 -8.773 -14.672 7.894 1.00 0.00 H new ATOM 0 HA PHE A 131 -11.464 -14.732 7.875 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -10.022 -12.838 8.606 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -9.702 -12.435 6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -12.337 -12.572 9.522 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -11.292 -11.212 5.624 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -14.343 -11.154 9.481 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -13.295 -9.791 5.581 1.00 0.00 H new ATOM 0 HZ PHE A 131 -14.827 -9.762 7.508 1.00 0.00 H new ATOM 2070 N LEU A 132 -10.447 -13.939 4.821 1.00 0.00 N ATOM 2071 CA LEU A 132 -10.847 -13.938 3.418 1.00 0.00 C ATOM 2072 C LEU A 132 -11.556 -15.238 3.053 1.00 0.00 C ATOM 2073 O LEU A 132 -12.613 -15.225 2.424 1.00 0.00 O ATOM 2074 CB LEU A 132 -9.626 -13.739 2.519 1.00 0.00 C ATOM 2075 CG LEU A 132 -8.908 -12.395 2.649 1.00 0.00 C ATOM 2076 CD1 LEU A 132 -7.587 -12.420 1.897 1.00 0.00 C ATOM 2077 CD2 LEU A 132 -9.792 -11.266 2.140 1.00 0.00 C ATOM 0 H LEU A 132 -9.502 -13.593 4.990 1.00 0.00 H new ATOM 0 HA LEU A 132 -11.541 -13.112 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -8.910 -14.533 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -9.939 -13.862 1.482 1.00 0.00 H new ATOM 0 HG LEU A 132 -8.699 -12.218 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -7.091 -11.455 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -6.949 -13.202 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -7.773 -12.620 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -9.265 -10.317 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -10.034 -11.438 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -10.712 -11.233 2.723 1.00 0.00 H new ATOM 2089 N SER A 133 -10.966 -16.360 3.453 1.00 0.00 N ATOM 2090 CA SER A 133 -11.540 -17.670 3.167 1.00 0.00 C ATOM 2091 C SER A 133 -12.982 -17.750 3.659 1.00 0.00 C ATOM 2092 O SER A 133 -13.830 -18.383 3.029 1.00 0.00 O ATOM 2093 CB SER A 133 -10.703 -18.771 3.821 1.00 0.00 C ATOM 2094 OG SER A 133 -10.858 -20.003 3.139 1.00 0.00 O ATOM 0 H SER A 133 -10.091 -16.388 3.976 1.00 0.00 H new ATOM 0 HA SER A 133 -11.535 -17.814 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 133 -9.652 -18.482 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 133 -11.001 -18.888 4.863 1.00 0.00 H new ATOM 0 HG SER A 133 -10.312 -20.690 3.576 1.00 0.00 H new ATOM 2100 N LEU A 134 -13.251 -17.105 4.788 1.00 0.00 N ATOM 2101 CA LEU A 134 -14.591 -17.103 5.367 1.00 0.00 C ATOM 2102 C LEU A 134 -15.600 -16.489 4.402 1.00 0.00 C ATOM 2103 O LEU A 134 -16.752 -16.917 4.339 1.00 0.00 O ATOM 2104 CB LEU A 134 -14.596 -16.331 6.687 1.00 0.00 C ATOM 2105 CG LEU A 134 -13.542 -16.749 7.713 1.00 0.00 C ATOM 2106 CD1 LEU A 134 -13.829 -16.111 9.064 1.00 0.00 C ATOM 2107 CD2 LEU A 134 -13.490 -18.264 7.838 1.00 0.00 C ATOM 0 H LEU A 134 -12.560 -16.577 5.321 1.00 0.00 H new ATOM 0 HA LEU A 134 -14.880 -18.137 5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -14.459 -15.272 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -15.580 -16.437 7.143 1.00 0.00 H new ATOM 0 HG LEU A 134 -12.569 -16.399 7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -13.069 -16.420 9.781 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -13.814 -15.026 8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -14.810 -16.430 9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -12.734 -18.543 8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -14.463 -18.636 8.159 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -13.235 -18.700 6.872 1.00 0.00 H new